 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Chair_STD_LCPBE_augccpVDZ.in
 Output=27_methylindane_Chair_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/27_methylindane_Chair_STD/Gau-14670.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/27_methylindane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     14672.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=27_methylindane_Chair_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=025000
 0000,3/108=0250000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=250000000,108=250000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "27_methylindane_Chair_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.295974000000     -1.028853000000     -0.128687000000
  C                                                -2.606029000000      0.291875000000      0.183416000000
  C                                                -0.973478000000     -1.409110000000     -0.342457000000
  C                                                 0.029531000000     -0.455263000000     -0.247794000000
  C                                                -0.281499000000      0.868664000000      0.064239000000
  C                                                -1.598106000000      1.247679000000      0.283733000000
  C                                                 1.523670000000     -0.639314000000     -0.396640000000
  C                                                 2.019669000000      0.816964000000     -0.580832000000
  C                                                 0.972315000000      1.705463000000      0.125740000000
  H                                                -3.088043000000     -1.762337000000     -0.209833000000
  H                                                -3.637708000000      0.578196000000      0.343549000000
  H                                                -0.735344000000     -2.437795000000     -0.586593000000
  H                                                -1.844116000000      2.275439000000      0.523140000000
  H                                                 1.760590000000     -1.243210000000     -1.276257000000
  C                                                 2.130571000000     -1.320158000000      0.835970000000
  H                                                 2.034988000000      1.060247000000     -1.645001000000
  H                                                 3.029412000000      0.962676000000     -0.195614000000
  H                                                 0.857874000000      2.679448000000     -0.352616000000
  H                                                 1.250132000000      1.896413000000      1.167459000000
  H                                                 1.938821000000     -0.733184000000      1.737056000000
  H                                                 3.211182000000     -1.433117000000      0.725825000000
  H                                                 1.698191000000     -2.310454000000      0.988755000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392072   0.000000
     3  C    1.392583   2.415598   0.000000
     4  C    2.398159   2.773145   1.387376   0.000000
     5  C    2.774149   2.397984   2.415055   1.395309   0.000000
     6  C    2.416549   1.392671   2.800143   2.414898   1.387546
     7  C    3.848795   4.272937   2.613670   1.512773   2.396882
     8  C    4.715533   4.717719   3.737801   2.385398   2.390432
     9  C    4.268832   3.847870   3.702146   2.386861   1.508663
    10  H    1.082570   2.146339   2.147963   3.380703   3.856679
    11  H    2.146128   1.082582   3.393834   3.855693   3.380314
    12  H    2.151827   3.397569   1.083745   2.151802   3.400328
    13  H    3.398147   2.151848   3.883706   3.400239   2.152064
    14  H    4.221206   4.853297   2.893896   2.162212   3.229097
    15  C    4.539793   5.045776   3.321404   2.517331   3.347326
    16  H    5.041902   5.047033   4.104292   2.875903   2.885189
    17  H    5.685983   5.687867   4.655111   3.318518   3.322423
    18  H    4.873233   4.241045   4.479984   3.244003   2.179651
    19  H    4.776195   4.291021   4.260372   3.003862   2.149245
    20  H    4.637015   4.911233   3.641804   2.768078   3.208435
    21  H    5.587700   6.091777   4.318933   3.468002   4.234939
    22  H    4.341029   5.093819   3.118070   2.784818   3.857550
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.710679   0.000000
     8  C    3.744501   1.549415   0.000000
     9  C    2.615644   2.464722   1.544547   0.000000
    10  H    3.394660   4.750155   5.734035   5.350211   0.000000
    11  H    2.147501   5.354441   5.737369   4.750840   2.467075
    12  H    3.883883   2.893745   4.264222   4.537632   2.476567
    13  H    1.083572   4.547941   4.274896   2.900876   4.288151
    14  H    4.463063   1.092954   2.189761   3.358816   4.991592
    15  C    4.560897   1.533364   2.566499   3.316680   5.340708
    16  H    4.117586   2.169875   1.091731   2.163585   6.022635
    17  H    4.661000   2.207723   1.090507   2.210577   6.696951
    18  H    2.913201   3.385174   2.206966   1.091132   5.943072
    19  H    3.051932   2.991846   2.194064   1.094908   5.839790
    20  H    4.306486   2.175734   2.789642   3.078550   5.488068
    21  H    5.523709   2.176637   2.861804   3.901706   6.376839
    22  H    4.901320   2.177725   3.513929   4.171244   4.964381
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.287783   0.000000
    13  H    2.475855   4.967440   0.000000
    14  H    5.923083   2.851729   5.349077   0.000000
    15  C    6.092558   3.389140   5.368828   2.145766   0.000000
    16  H    6.030438   4.585986   4.607057   2.348868   3.439576
    17  H    6.699926   5.088168   5.098159   2.764712   2.661468
    18  H    5.011004   5.364631   2.868958   4.129801   4.362263
    19  H    5.129084   5.079781   3.183265   4.011178   3.351326
    20  H    5.895698   3.931438   4.983575   3.061364   1.092366
    21  H    7.148343   4.278655   6.272998   2.479640   1.092068
    22  H    6.101836   2.901729   5.813360   2.504632   1.091321
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760432   0.000000
    18  H    2.382786   2.772640   0.000000
    19  H    3.037286   2.428100   1.754320   0.000000
    20  H    3.829354   2.792945   4.145025   2.777321   0.000000
    21  H    3.636085   2.573308   4.859453   3.889284   1.769575
    22  H    4.290889   3.726695   5.234934   4.234433   1.762282
                   21         22
    21  H    0.000000
    22  H    1.768614   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4876774           1.1963393           0.8919853
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 376 were deleted.
 There are   358 symmetry adapted cartesian basis functions of A   symmetry.
 There are   338 symmetry adapted basis functions of A   symmetry.
   338 basis functions,   614 primitive gaussians,   358 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       505.9870942501 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:              15.6 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   338 RedAO= T EigKep=  1.49D-06  NBF=   338
 NBsUse=   338 1.00D-06 EigRej= -1.00D+00 NBFU=   338
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   358   358   358   358   358 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:               4.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Chair_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636881894 LenY=  5636753289
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -387.063960668690    
 DIIS: error= 2.98D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -387.063960668690     IErMin= 1 ErrMin= 2.98D-03
 ErrMax= 2.98D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-03 BMatP= 9.32D-03
 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.98D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.366 Goal=   None    Shift=    0.000
 GapD=    0.366 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.50D-02 MaxDP=3.82D+00              OVMax= 1.31D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.06D-02    CP:  1.70D+00
 E= -387.072688387046     Delta-E=       -0.008727718356 Rises=F Damp=F
 DIIS: error= 5.92D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -387.072688387046     IErMin= 2 ErrMin= 5.92D-04
 ErrMax= 5.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-04 BMatP= 9.32D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.92D-03
 Coeff-Com: -0.143D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.142D-01 0.101D+01
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=9.69D-03 MaxDP=7.00D-01 DE=-8.73D-03 OVMax= 3.57D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.67D-03    CP:  1.82D+00  1.17D+00
 E= -387.072892943029     Delta-E=       -0.000204555983 Rises=F Damp=F
 DIIS: error= 3.31D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -387.072892943029     IErMin= 3 ErrMin= 3.31D-04
 ErrMax= 3.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.74D-05 BMatP= 2.18D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.31D-03
 Coeff-Com: -0.212D-01 0.396D+00 0.625D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.211D-01 0.395D+00 0.626D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.01D-03 MaxDP=6.31D-02 DE=-2.05D-04 OVMax= 2.15D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.08D-04    CP:  1.84D+00  1.19D+00  1.05D+00
 E= -387.072989915812     Delta-E=       -0.000096972783 Rises=F Damp=F
 DIIS: error= 9.98D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -387.072989915812     IErMin= 4 ErrMin= 9.98D-05
 ErrMax= 9.98D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.62D-06 BMatP= 9.74D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.518D-02 0.959D-02 0.185D+00 0.811D+00
 Coeff:     -0.518D-02 0.959D-02 0.185D+00 0.811D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.06D-04 MaxDP=3.14D-02 DE=-9.70D-05 OVMax= 1.06D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.37D-04    CP:  1.84D+00  1.19D+00  1.11D+00  8.80D-01
 E= -387.072996166887     Delta-E=       -0.000006251075 Rises=F Damp=F
 DIIS: error= 4.00D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -387.072996166887     IErMin= 5 ErrMin= 4.00D-05
 ErrMax= 4.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-06 BMatP= 6.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-03-0.384D-01 0.259D-01 0.404D+00 0.609D+00
 Coeff:     -0.153D-03-0.384D-01 0.259D-01 0.404D+00 0.609D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=6.71D-05 MaxDP=3.40D-03 DE=-6.25D-06 OVMax= 4.06D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.26D-05    CP:  1.84D+00  1.19D+00  1.12D+00  9.47D-01  7.88D-01
 E= -387.072997827776     Delta-E=       -0.000001660889 Rises=F Damp=F
 DIIS: error= 7.37D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -387.072997827776     IErMin= 6 ErrMin= 7.37D-06
 ErrMax= 7.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.29D-08 BMatP= 1.63D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.446D-03-0.108D-01-0.768D-02 0.429D-01 0.165D+00 0.810D+00
 Coeff:      0.446D-03-0.108D-01-0.768D-02 0.429D-01 0.165D+00 0.810D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.46D-05 MaxDP=8.35D-04 DE=-1.66D-06 OVMax= 1.07D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.92D-06    CP:  1.84D+00  1.19D+00  1.11D+00  9.59D-01  7.94D-01
                    CP:  1.09D+00
 E= -387.072997884976     Delta-E=       -0.000000057200 Rises=F Damp=F
 DIIS: error= 2.17D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -387.072997884976     IErMin= 7 ErrMin= 2.17D-06
 ErrMax= 2.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.76D-09 BMatP= 4.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.177D-03-0.157D-02-0.437D-02-0.105D-01 0.169D-01 0.300D+00
 Coeff-Com:  0.699D+00
 Coeff:      0.177D-03-0.157D-02-0.437D-02-0.105D-01 0.169D-01 0.300D+00
 Coeff:      0.699D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=6.79D-06 MaxDP=4.50D-04 DE=-5.72D-08 OVMax= 2.34D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.45D-06    CP:  1.84D+00  1.19D+00  1.11D+00  9.62D-01  7.93D-01
                    CP:  1.11D+00  1.13D+00
 E= -387.072997891629     Delta-E=       -0.000000006654 Rises=F Damp=F
 DIIS: error= 7.53D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -387.072997891629     IErMin= 8 ErrMin= 7.53D-07
 ErrMax= 7.53D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-10 BMatP= 5.76D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-04 0.125D-02-0.256D-03-0.112D-01-0.240D-01-0.230D-01
 Coeff-Com:  0.234D+00 0.823D+00
 Coeff:     -0.186D-04 0.125D-02-0.256D-03-0.112D-01-0.240D-01-0.230D-01
 Coeff:      0.234D+00 0.823D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.02D-06 MaxDP=2.75D-04 DE=-6.65D-09 OVMax= 1.42D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.01D-07    CP:  1.84D+00  1.19D+00  1.11D+00  9.62D-01  7.92D-01
                    CP:  1.13D+00  1.20D+00  1.01D+00
 E= -387.072997892458     Delta-E=       -0.000000000829 Rises=F Damp=F
 DIIS: error= 1.60D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -387.072997892458     IErMin= 9 ErrMin= 1.60D-07
 ErrMax= 1.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-11 BMatP= 5.91D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.923D-05 0.175D-03 0.125D-03-0.239D-03-0.317D-02-0.124D-01
 Coeff-Com: -0.186D-01 0.630D-01 0.971D+00
 Coeff:     -0.923D-05 0.175D-03 0.125D-03-0.239D-03-0.317D-02-0.124D-01
 Coeff:     -0.186D-01 0.630D-01 0.971D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=2.89D-07 MaxDP=1.50D-05 DE=-8.29D-10 OVMax= 3.97D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.55D-07    CP:  1.84D+00  1.19D+00  1.11D+00  9.62D-01  7.91D-01
                    CP:  1.13D+00  1.20D+00  1.06D+00  1.16D+00
 E= -387.072997892534     Delta-E=       -0.000000000076 Rises=F Damp=F
 DIIS: error= 6.82D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -387.072997892534     IErMin=10 ErrMin= 6.82D-08
 ErrMax= 6.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-12 BMatP= 1.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-05-0.782D-04 0.637D-04 0.122D-02 0.143D-02-0.126D-02
 Coeff-Com: -0.340D-01-0.686D-01 0.359D+00 0.742D+00
 Coeff:     -0.108D-05-0.782D-04 0.637D-04 0.122D-02 0.143D-02-0.126D-02
 Coeff:     -0.340D-01-0.686D-01 0.359D+00 0.742D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.46D-07 MaxDP=8.02D-06 DE=-7.56D-11 OVMax= 1.68D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.70D-08    CP:  1.84D+00  1.19D+00  1.11D+00  9.62D-01  7.91D-01
                    CP:  1.13D+00  1.20D+00  1.06D+00  1.19D+00  1.01D+00
 E= -387.072997892537     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 2.60D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -387.072997892537     IErMin=11 ErrMin= 2.60D-08
 ErrMax= 2.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-13 BMatP= 4.04D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.694D-06-0.331D-04-0.428D-06 0.262D-03 0.534D-03 0.111D-02
 Coeff-Com: -0.448D-02-0.189D-01-0.396D-01 0.125D+00 0.936D+00
 Coeff:      0.694D-06-0.331D-04-0.428D-06 0.262D-03 0.534D-03 0.111D-02
 Coeff:     -0.448D-02-0.189D-01-0.396D-01 0.125D+00 0.936D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=7.50D-08 MaxDP=5.22D-06 DE=-2.84D-12 OVMax= 7.80D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.91D-08    CP:  1.84D+00  1.19D+00  1.11D+00  9.62D-01  7.91D-01
                    CP:  1.13D+00  1.20D+00  1.06D+00  1.19D+00  1.08D+00
                    CP:  1.11D+00
 E= -387.072997892500     Delta-E=        0.000000000037 Rises=F Damp=F
 DIIS: error= 1.20D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -387.072997892537     IErMin=12 ErrMin= 1.20D-08
 ErrMax= 1.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.05D-14 BMatP= 2.99D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.300D-06 0.396D-05-0.872D-05-0.112D-03-0.103D-03 0.400D-03
 Coeff-Com:  0.388D-02 0.594D-02-0.561D-01-0.801D-01 0.172D+00 0.954D+00
 Coeff:      0.300D-06 0.396D-05-0.872D-05-0.112D-03-0.103D-03 0.400D-03
 Coeff:      0.388D-02 0.594D-02-0.561D-01-0.801D-01 0.172D+00 0.954D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.81D-08 MaxDP=1.11D-06 DE= 3.69D-11 OVMax= 4.08D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.22D-09    CP:  1.84D+00  1.19D+00  1.11D+00  9.62D-01  7.91D-01
                    CP:  1.13D+00  1.20D+00  1.06D+00  1.19D+00  1.08D+00
                    CP:  1.16D+00  1.19D+00
 E= -387.072997892552     Delta-E=       -0.000000000052 Rises=F Damp=F
 DIIS: error= 6.55D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -387.072997892552     IErMin=13 ErrMin= 6.55D-09
 ErrMax= 6.55D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-14 BMatP= 5.05D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.872D-08 0.782D-05-0.396D-05-0.963D-04-0.143D-03-0.479D-04
 Coeff-Com:  0.250D-02 0.601D-02-0.155D-01-0.608D-01-0.119D+00 0.449D+00
 Coeff-Com:  0.737D+00
 Coeff:      0.872D-08 0.782D-05-0.396D-05-0.963D-04-0.143D-03-0.479D-04
 Coeff:      0.250D-02 0.601D-02-0.155D-01-0.608D-01-0.119D+00 0.449D+00
 Coeff:      0.737D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=5.17D-09 MaxDP=2.67D-07 DE=-5.20D-11 OVMax= 1.62D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -387.072997893     A.U. after   13 cycles
            NFock= 13  Conv=0.52D-08     -V/T= 2.0046
 KE= 3.852842061729D+02 PE=-1.910485513981D+03 EE= 6.321412156656D+02
 Leave Link  502 at Fri Jul 16 19:21:20 2021, MaxMem=  5637144576 cpu:            3422.2 elap:             431.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   338
 NBasis=   338 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    338 NOA=    36 NOB=    36 NVA=   302 NVB=   302

 **** Warning!!: The largest alpha MO coefficient is  0.14333833D+03

 Leave Link  801 at Fri Jul 16 19:21:21 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6795 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.81D-13 8.33D-09 XBig12= 1.00D+00 3.23D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.81D-13 8.33D-09 XBig12= 2.18D-01 6.11D-02.
     11 vectors produced by pass  2 Test12= 1.81D-13 8.33D-09 XBig12= 4.60D-02 5.85D-02.
     11 vectors produced by pass  3 Test12= 1.81D-13 8.33D-09 XBig12= 4.32D-03 1.34D-02.
     11 vectors produced by pass  4 Test12= 1.81D-13 8.33D-09 XBig12= 5.66D-04 4.70D-03.
     11 vectors produced by pass  5 Test12= 1.81D-13 8.33D-09 XBig12= 4.33D-05 1.03D-03.
     11 vectors produced by pass  6 Test12= 1.81D-13 8.33D-09 XBig12= 1.33D-06 2.01D-04.
     11 vectors produced by pass  7 Test12= 1.81D-13 8.33D-09 XBig12= 3.71D-08 2.63D-05.
     11 vectors produced by pass  8 Test12= 1.81D-13 8.33D-09 XBig12= 9.77D-10 4.24D-06.
     11 vectors produced by pass  9 Test12= 1.81D-13 8.33D-09 XBig12= 2.43D-11 7.08D-07.
      7 vectors produced by pass 10 Test12= 1.81D-13 8.33D-09 XBig12= 6.42D-13 1.13D-07.
      4 vectors produced by pass 11 Test12= 1.81D-13 8.33D-09 XBig12= 2.04D-14 1.82D-08.
      1 vectors produced by pass 12 Test12= 1.81D-13 8.33D-09 XBig12= 7.57D-15 8.44D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.148792D+03
      2  0.171995D+01  0.126372D+03
      3 -0.229890D+01  0.520435D+01  0.852660D+02
 Isotropic polarizability for W=    0.085645      120.14 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.813396D+02 -0.126370D+02  0.801334D+01
      2   0.381746D+02  0.511850D+01 -0.567125D+01
      3   0.431651D+02  0.751854D+01 -0.234208D+01
      4  -0.220163D+02 -0.360699D+02 -0.315275D+02
      5   0.220840D+02 -0.317598D+02  0.369570D+02
      6  -0.140245D+02  0.746612D+01 -0.296151D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.300693D+01 -0.201279D+01  0.284104D+01
      2   0.101216D+02 -0.148453D+02  0.132859D+02
      3   0.128451D+01  0.339600D+02  0.119624D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.232337D+00  0.131374D+02  0.104801D+02
      2  -0.140707D+02 -0.175031D+02 -0.620807D+01
      3  -0.937923D+01  0.742445D+02  0.177354D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.149954D+01 -0.214386D+01 -0.893784D+00
      2  -0.214386D+01  0.310891D+01 -0.330693D+01
      3  -0.893784D+00 -0.330693D+01 -0.148534D+01
 OR G Eigenvalues:    -4.4086    -0.6555     5.1881  Iso=    -0.0413
 Eigenvectors:
   (1)   0.553633   0.462520   0.692507
   (2)   0.800669  -0.067010  -0.595348
   (3)  -0.228956   0.884073  -0.407424
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0413 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =      -14.83 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   57291 ScalPx= 2.27D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.60D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.02D-14 2.78D-09 XBig12= 1.00D+00 3.13D-01.
     30 vectors produced by pass  1 Test12= 3.02D-14 2.78D-09 XBig12= 2.72D-02 2.69D-02.
     30 vectors produced by pass  2 Test12= 3.02D-14 2.78D-09 XBig12= 1.29D-03 6.67D-03.
     30 vectors produced by pass  3 Test12= 3.02D-14 2.78D-09 XBig12= 2.58D-05 1.19D-03.
     30 vectors produced by pass  4 Test12= 3.02D-14 2.78D-09 XBig12= 6.67D-07 1.13D-04.
     30 vectors produced by pass  5 Test12= 3.02D-14 2.78D-09 XBig12= 1.27D-08 1.70D-05.
     30 vectors produced by pass  6 Test12= 3.02D-14 2.78D-09 XBig12= 1.36D-10 1.27D-06.
     30 vectors produced by pass  7 Test12= 3.02D-14 2.78D-09 XBig12= 9.79D-13 1.17D-07.
     13 vectors produced by pass  8 Test12= 3.02D-14 2.78D-09 XBig12= 9.42D-15 9.14D-09.
      5 vectors produced by pass  9 Test12= 3.02D-14 2.78D-09 XBig12= 1.90D-15 6.29D-09.
      1 vectors produced by pass 10 Test12= 3.02D-14 2.78D-09 XBig12= 1.29D-15 3.43D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 6.97D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 6.97D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.86D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.148792D+03  0.171995D+01 -0.229890D+01
      2   0.171995D+01  0.126372D+03  0.520435D+01
      3  -0.229890D+01  0.520435D+01  0.852660D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.300693D+01 -0.201279D+01  0.284104D+01
      2   0.101216D+02 -0.148453D+02  0.132859D+02
      3   0.128451D+01  0.339600D+02  0.119624D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.813396D+02 -0.126370D+02  0.801334D+01
      2   0.381746D+02  0.511850D+01 -0.567125D+01
      3   0.431651D+02  0.751854D+01 -0.234208D+01
      4  -0.220163D+02 -0.360699D+02 -0.315275D+02
      5   0.220840D+02 -0.317598D+02  0.369570D+02
      6  -0.140245D+02  0.746612D+01 -0.296151D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.101804D+01 -0.154615D+01 -0.708937D+00 -0.483122D+01  0.402637D+00
      2  -0.154615D+01 -0.244562D+01 -0.686599D+00  0.402637D+00 -0.228344D+01
      3  -0.708937D+00 -0.686599D+00 -0.211501D+01  0.113941D+01  0.957864D+00
                 6             7             8             9            10 
      1   0.113941D+01 -0.164643D+01  0.763400D+00 -0.393217D+01 -0.473095D+01
      2   0.957864D+00  0.763400D+00  0.138891D+01 -0.314913D+01  0.132721D+01
      3  -0.200063D+01 -0.393217D+01 -0.314913D+01 -0.953629D+00 -0.499561D+00
                11            12            13            14            15 
      1   0.132721D+01 -0.499561D+00  0.234523D+01  0.187511D+01  0.134565D+01
      2  -0.263748D+01  0.271687D-01  0.187511D+01  0.202300D+01 -0.600049D+00
      3   0.271687D-01 -0.258216D+01  0.134565D+01 -0.600049D+00  0.629146D+00
                16            17            18            19            20 
      1   0.627539D-01  0.146102D+01 -0.509786D+01 -0.974671D+00  0.390148D+01
      2   0.146102D+01  0.279760D+00  0.113733D+01  0.390148D+01  0.122448D+01
      3  -0.509786D+01  0.113733D+01  0.173763D+01  0.625059D+00 -0.340206D+00
                21            22            23            24            25 
      1   0.625059D+00 -0.532983D+01  0.637345D+00 -0.149567D+00 -0.834449D+00
      2  -0.340206D+00  0.637345D+00 -0.197857D+01  0.106820D+01 -0.113149D+01
      3   0.693970D+00 -0.149567D+00  0.106820D+01 -0.163753D+01 -0.297414D+00
                26            27            28            29            30 
      1  -0.113149D+01 -0.297414D+00  0.145758D+02 -0.421105D+01 -0.340109D+00
      2   0.114253D+01 -0.355708D+01 -0.421105D+01  0.455013D+01  0.223245D+00
      3  -0.355708D+01 -0.253985D+01 -0.340109D+00  0.223245D+00  0.174179D+01
                31            32            33            34            35 
      1  -0.870540D+01 -0.174326D+01 -0.529000D+00 -0.179402D+01 -0.120591D+01
      2  -0.174326D+01 -0.539695D+00 -0.169493D-01 -0.120591D+01 -0.486516D+00
      3  -0.529000D+00 -0.169493D-01 -0.147430D+00  0.326904D+01 -0.152538D+01
                36            37            38            39            40 
      1   0.326904D+01  0.345958D+01  0.415823D+01  0.833428D+00  0.127974D+02
      2  -0.152538D+01  0.415823D+01  0.650922D+01  0.129909D+01  0.326647D+01
      3  -0.156519D+01  0.833428D+00  0.129909D+01  0.175135D+01  0.918312D-01
                41            42            43            44            45 
      1   0.326647D+01  0.918312D-01  0.279180D+01  0.313761D+00  0.222620D+01
      2   0.522802D+01 -0.370142D+00  0.313761D+00 -0.110909D+01  0.241859D+01
      3  -0.370142D+00  0.948290D+00  0.222620D+01  0.241859D+01  0.584591D+00
                46            47            48            49            50 
      1   0.122538D+01 -0.344186D+01 -0.419045D+00  0.507376D+01 -0.632147D+00
      2  -0.344186D+01 -0.262876D+01  0.419167D+00 -0.632147D+00  0.107294D+01
      3  -0.419045D+00  0.419167D+00  0.190125D+00  0.172126D+00 -0.905409D+00
                51            52            53            54            55 
      1   0.172126D+00  0.523891D+00  0.110290D+01 -0.174572D+01 -0.358801D+01
      2  -0.905409D+00  0.110290D+01 -0.836870D+00  0.347495D+01  0.300902D+01
      3   0.193507D+01 -0.174572D+01  0.347495D+01  0.222790D+01 -0.117666D-01
                56            57            58            59            60 
      1   0.300902D+01 -0.117666D-01  0.443644D+01 -0.409683D+01  0.492322D+00
      2  -0.281816D+01  0.645237D+00 -0.409683D+01 -0.150735D+01  0.172844D+01
      3   0.645237D+00 -0.216488D+01  0.492322D+00  0.172844D+01  0.322817D+01
                61            62            63            64            65 
      1  -0.205032D+01  0.103606D+01 -0.421189D+01 -0.631988D+01 -0.189757D+01
      2   0.103606D+01  0.802605D+00  0.427070D+01 -0.189757D+01  0.154963D+01
      3  -0.421189D+01  0.427070D+01  0.191809D+01 -0.214930D+01  0.173248D+00
                66            67            68            69            70 
      1  -0.214930D+01 -0.171423D+01  0.131230D+01  0.298048D+00 -0.374155D+01
      2   0.173248D+00  0.131230D+01  0.264235D+01 -0.119470D+01 -0.963032D-01
      3   0.399133D+00  0.298048D+00 -0.119470D+01 -0.141100D+01 -0.460955D+00
                71            72            73            74            75 
      1  -0.963032D-01 -0.460955D+00 -0.244230D+01 -0.910080D+00 -0.432921D+00
      2  -0.179786D+00 -0.226851D+01 -0.910080D+00 -0.218982D+01 -0.173429D+01
      3  -0.226851D+01  0.576837D+01 -0.432921D+00 -0.173429D+01 -0.168758D+01
                76            77            78            79            80 
      1  -0.134198D+01 -0.380264D+01 -0.128920D+01 -0.203267D+01 -0.269404D+01
      2  -0.380264D+01 -0.806091D+01  0.153923D+01 -0.269404D+01  0.155350D+01
      3  -0.128920D+01  0.153923D+01 -0.116917D+01 -0.319181D+01 -0.315665D+01
                81            82            83            84            85 
      1  -0.319181D+01 -0.737824D+01 -0.447249D+01 -0.395641D+00 -0.448771D+01
      2  -0.315665D+01 -0.447249D+01 -0.346715D+01 -0.228099D+00 -0.434302D+01
      3  -0.447206D+01 -0.395641D+00 -0.228099D+00 -0.736225D+00 -0.662887D+00
                86            87            88            89            90 
      1  -0.434302D+01 -0.662887D+00 -0.272346D+00 -0.511367D+00 -0.178992D-01
      2  -0.500058D+01 -0.594268D+00 -0.511367D+00 -0.852500D+00 -0.674973D-01
      3  -0.594268D+00 -0.742820D+00 -0.178992D-01 -0.674973D-01 -0.961430D-01
                91            92            93            94            95 
      1  -0.126554D+02  0.238741D+01  0.153601D+01  0.249619D+01 -0.205035D+01
      2   0.238741D+01 -0.128215D+01 -0.283230D+00 -0.205035D+01  0.105256D+01
      3   0.153601D+01 -0.283230D+00 -0.114169D+01 -0.653797D+00  0.325965D+00
                96            97            98            99           100 
      1  -0.653797D+00  0.164509D+01 -0.640203D+00 -0.172657D+00  0.546244D+00
      2   0.325965D+00 -0.640203D+00  0.288956D+00  0.844201D-01 -0.132724D+01
      3   0.369297D+00 -0.172657D+00  0.844201D-01  0.211243D+00 -0.321888D+00
               101           102           103           104           105 
      1  -0.132724D+01 -0.321888D+00 -0.106018D+01  0.748144D+00  0.136242D+00
      2   0.135550D+01  0.443769D+00  0.748144D+00 -0.988425D+01 -0.216629D+01
      3   0.443769D+00  0.271235D+00  0.136242D+00 -0.216629D+01 -0.146966D+01
               106           107           108           109           110 
      1  -0.348769D+00  0.430004D+00  0.202692D-01 -0.139568D+01  0.185242D+01
      2   0.430004D+00 -0.235251D+01 -0.604133D+00  0.185242D+01 -0.193903D+01
      3   0.202692D-01 -0.604133D+00 -0.402980D+00  0.467729D+00 -0.501159D+00
               111           112           113           114           115 
      1   0.467729D+00  0.180987D+01 -0.288996D+01 -0.640934D+00  0.508561D+00
      2  -0.501159D+00 -0.288996D+01  0.975802D+01  0.199765D+01 -0.800182D+00
      3  -0.411777D+00 -0.640934D+00  0.199765D+01  0.139671D+01 -0.269484D+00
               116           117           118           119           120 
      1  -0.800182D+00 -0.269484D+00  0.198326D+01 -0.138541D+01 -0.137733D+01
      2   0.209831D+01  0.535255D+00 -0.138541D+01  0.106712D+01  0.409126D+00
      3   0.535255D+00  0.391945D+00 -0.137733D+01  0.409126D+00  0.140593D+01
               121           122           123           124           125 
      1  -0.321763D+01  0.229662D+01  0.952736D+00 -0.255658D+01  0.124525D+01
      2   0.229662D+01 -0.317504D+01 -0.216941D+01  0.124525D+01 -0.251403D+01
      3   0.952736D+00 -0.216941D+01 -0.292271D+01  0.258886D+01 -0.288314D+01
               126           127           128           129           130 
      1   0.258886D+01 -0.838501D+01  0.177748D+01  0.616409D+00 -0.130944D+01
      2  -0.288314D+01  0.177748D+01  0.269879D+01 -0.116483D+01  0.307547D+01
      3  -0.540739D+01  0.616409D+00 -0.116483D+01  0.196207D+01 -0.127700D+01
               131           132           133           134           135 
      1   0.307547D+01 -0.127700D+01  0.513329D+01 -0.231678D+01  0.285948D+01
      2   0.351664D+01 -0.151449D+01 -0.231678D+01 -0.215275D+00 -0.345727D+01
      3  -0.151449D+01 -0.302605D+01  0.285948D+01 -0.345727D+01 -0.197169D+01
               136           137           138           139           140 
      1   0.112563D+01  0.539933D+00 -0.932142D+00  0.588191D+00  0.412814D+00
      2   0.539933D+00 -0.149334D+00 -0.193875D+00  0.412814D+00  0.883952D+00
      3  -0.932142D+00 -0.193875D+00  0.175570D+00 -0.504309D+00 -0.122209D+01
               141           142           143           144           145 
      1  -0.504309D+00 -0.166544D+01 -0.624553D+00  0.227034D+01  0.108149D+02
      2  -0.122209D+01 -0.624553D+00 -0.197035D+01  0.246114D+01  0.204833D+01
      3   0.161553D+01  0.227034D+01  0.246114D+01 -0.864351D+01  0.867291D+00
               146           147           148           149           150 
      1   0.204833D+01  0.867291D+00  0.132870D+01  0.128679D+01  0.107240D-01
      2   0.151910D+01 -0.626665D-01  0.128679D+01  0.497327D+00  0.280916D+00
      3  -0.626665D-01  0.124684D+01  0.107240D-01  0.280916D+00  0.324335D+00
               151           152           153           154           155 
      1   0.324274D+01  0.575569D+00  0.145345D+01 -0.120203D+00  0.870165D+00
      2   0.575569D+00  0.712519D+00  0.506542D+00  0.870165D+00 -0.834479D+00
      3   0.145345D+01  0.506542D+00  0.623411D-01 -0.338845D+00  0.196490D+00
               156           157           158           159           160 
      1  -0.338845D+00  0.209128D+01  0.195304D+01 -0.192892D+00 -0.486040D+00
      2   0.196490D+00  0.195304D+01  0.107213D+02 -0.185187D+01 -0.149331D+00
      3   0.114353D+00 -0.192892D+00 -0.185187D+01  0.136921D+01  0.753354D+00
               161           162           163           164           165 
      1  -0.149331D+00  0.753354D+00  0.226565D+01  0.109345D+01  0.150095D+01
      2  -0.343936D+01  0.212931D+01  0.109345D+01  0.876923D+00  0.834986D+00
      3   0.212931D+01 -0.670130D+00  0.150095D+01  0.834986D+00  0.146284D+01
               166           167           168           169           170 
      1   0.799235D+00  0.165306D+01  0.697793D+00  0.410672D+01  0.253256D+01
      2   0.165306D+01  0.291090D+01  0.143004D+01  0.253256D+01  0.334865D+01
      3   0.697793D+00  0.143004D+01  0.119443D+01  0.285338D+01  0.344699D+01
               171           172           173           174           175 
      1   0.285338D+01  0.413831D+00  0.253720D+00  0.515727D+00  0.114645D+01
      2   0.344699D+01  0.253720D+00 -0.602817D+00  0.128626D+00 -0.430838D+00
      3   0.669397D+01  0.515727D+00  0.128626D+00 -0.981949D+00  0.525240D+00
               176           177           178           179           180 
      1  -0.430838D+00  0.525240D+00  0.115913D+01 -0.336191D-01  0.463145D+00
      2   0.104292D+01  0.106725D+01 -0.336191D-01  0.161801D+01  0.109044D+01
      3   0.106725D+01  0.281754D+01  0.463145D+00  0.109044D+01  0.605704D+01
               181           182           183           184           185 
      1   0.128738D+02 -0.312750D+01  0.962626D+00 -0.126257D+01  0.128399D+01
      2  -0.312750D+01  0.185918D+01 -0.413697D+00  0.128399D+01 -0.121583D+01
      3   0.962626D+00 -0.413697D+00  0.138681D+01  0.702976D-01  0.222559D+00
               186           187           188           189           190 
      1   0.702976D-01 -0.147055D+01  0.498172D+00  0.875559D+00 -0.275734D+00
      2   0.222559D+00  0.498172D+00 -0.411293D+00  0.462962D-01 -0.899496D+00
      3   0.153173D+00  0.875559D+00  0.462962D-01  0.449615D-01  0.224810D-02
               191           192           193           194           195 
      1  -0.899496D+00  0.224810D-02 -0.165258D+01 -0.214761D+00 -0.328381D-01
      2  -0.221525D+01  0.808505D+00 -0.214761D+00 -0.770422D+01  0.198755D+01
      3   0.808505D+00 -0.980746D+00 -0.328381D-01  0.198755D+01 -0.145391D+01
               196           197           198 
      1  -0.274811D+00  0.245092D+00 -0.235227D+00
      2   0.245092D+00  0.113383D+01 -0.933164D+00
      3  -0.235227D+00 -0.933164D+00  0.102449D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.199448D+01  0.819867D+00 -0.387990D+01  0.273116D+01 -0.685927D+00
      2   0.242175D+01  0.166871D+01  0.434373D+01 -0.248160D+01 -0.270670D+01
      3  -0.641154D+01 -0.103619D+02 -0.111835D+01  0.846048D+01 -0.393243D+01
                 6             7             8             9            10 
      1  -0.811810D+00 -0.802371D+01  0.500236D+01  0.205104D+01  0.632924D+00
      2   0.611168D+01 -0.154762D+00  0.107345D+02  0.370737D+01 -0.803394D+00
      3   0.131186D+01  0.292297D+01  0.326354D+01 -0.474332D+01  0.483916D+01
                11            12            13            14            15 
      1   0.425292D+00  0.194113D+01 -0.959781D-01 -0.267555D+01  0.208821D+01
      2  -0.117429D+00  0.763104D+01 -0.381624D+01  0.640080D+00 -0.235988D+01
      3  -0.889602D+01 -0.348390D+00  0.109143D+02  0.434736D+01 -0.177187D+01
                16            17            18            19            20 
      1   0.455385D+01  0.108163D+02  0.219761D+01  0.104932D+01 -0.125144D+01
      2   0.746635D+01 -0.513749D+01 -0.444682D+01 -0.502723D+01  0.310046D+01
      3   0.345623D+01 -0.119019D+01  0.208697D+01  0.899559D+01 -0.630109D+01
                21            22            23            24            25 
      1   0.282562D+01 -0.670961D+00  0.971287D+00 -0.326442D+01  0.341307D+01
      2  -0.141021D+01  0.159196D+01  0.603468D+00  0.241648D+01 -0.139562D+02
      3  -0.365339D+01  0.575333D+01 -0.740804D+01  0.189725D+00 -0.375099D+01
                26            27            28            29            30 
      1   0.276837D+00 -0.122621D+01  0.356780D-01  0.253211D+00  0.193486D+01
      2   0.321272D+01  0.348442D+01  0.267035D+01 -0.362026D+01 -0.220806D+01
      3   0.100721D+01 -0.553229D+01 -0.618418D+01  0.134430D+02  0.195314D+01
                31            32            33            34            35 
      1   0.229002D+00 -0.349830D+01 -0.119320D+01  0.400812D+01  0.997025D+01
      2  -0.170246D+01  0.859973D+00  0.412706D+00 -0.143582D+02 -0.623378D+00
      3   0.118854D+02 -0.102151D+02  0.132454D+01 -0.533312D+00 -0.161332D+01
                36            37            38            39            40 
      1   0.814251D+00 -0.185462D+01 -0.207789D+00 -0.135616D+01  0.724109D+00
      2   0.883771D+00 -0.247998D+00 -0.471251D-01 -0.199934D+01  0.385348D+01
      3  -0.243986D+01 -0.239948D+01  0.104219D+02  0.254061D+01  0.127929D+02
                41            42            43            44            45 
      1  -0.415159D+00 -0.351909D+00 -0.404821D+01  0.748595D+01  0.152195D+01
      2  -0.303505D+01 -0.162138D+01 -0.142535D+02 -0.806784D+00 -0.929229D-01
      3   0.194247D+02  0.146082D+01 -0.870553D+00  0.324490D+01  0.463986D+01
                46            47            48            49            50 
      1   0.648360D+00 -0.934658D+00 -0.108531D+01 -0.616723D+00 -0.303115D-01
      2   0.511388D+00  0.204710D+01 -0.814156D+00  0.221996D+01  0.234872D+01
      3  -0.460597D+01 -0.150380D+02 -0.198441D+01  0.477153D-01  0.373175D+01
                51            52            53            54            55 
      1  -0.332356D+01  0.254846D+01  0.971695D+00 -0.791509D+00 -0.168530D+01
      2  -0.519256D+01 -0.106659D+02 -0.853698D+01 -0.338726D+01 -0.377575D+00
      3  -0.155878D+01 -0.203426D+01 -0.213117D+01  0.538023D+01  0.177433D-01
                56            57            58            59            60 
      1   0.415280D+00 -0.271723D+01 -0.174719D+00  0.476460D+01  0.278958D+00
      2   0.279358D+01 -0.551422D+00  0.372879D+01  0.618620D+00  0.585572D+01
      3  -0.471887D+01  0.928349D+00  0.903766D+01  0.116698D+02 -0.479562D+01
                61            62            63            64            65 
      1  -0.574667D+01  0.683837D+01  0.618274D+00  0.402039D+01 -0.187030D+01
      2  -0.138034D+02  0.900143D+01  0.170647D+01 -0.123497D+02 -0.848426D+00
      3   0.216634D+01 -0.532620D+01 -0.442300D+01  0.361592D-01 -0.100279D+02
                66            67            68            69            70 
      1  -0.583207D+00 -0.495322D+00 -0.242971D+01  0.129965D+01  0.109161D+01
      2   0.122885D+01  0.296228D+00 -0.450523D+00 -0.395264D+01 -0.896190D+01
      3  -0.337246D+01 -0.615562D+01 -0.675516D+01  0.459462D+01 -0.605373D+01
                71            72            73            74            75 
      1   0.537860D+01 -0.445455D+01  0.168681D+01  0.468232D+01  0.349907D+01
      2  -0.704631D+01  0.131468D+02  0.128782D+00 -0.130513D+01  0.334664D+00
      3   0.327211D+01  0.508704D+01 -0.411706D+01 -0.440163D+01  0.812184D+00
                76            77            78            79            80 
      1   0.171508D+01 -0.870229D+01  0.714345D+00  0.987033D+01  0.127635D+02
      2  -0.155004D+01  0.268166D+01  0.323778D+00 -0.761077D+01 -0.243174D+01
      3   0.104713D+02 -0.113717D+01 -0.722486D+01 -0.598129D+00 -0.131383D+02
                81            82            83            84            85 
      1   0.972249D+01  0.233935D+00  0.514151D+00 -0.252113D+01 -0.431303D+00
      2  -0.312623D+01 -0.462829D+00 -0.429447D+00  0.396917D+01  0.894559D+00
      3  -0.508589D+01 -0.182721D+01 -0.577140D+01  0.693219D-01 -0.377813D+01
                86            87            88            89            90 
      1  -0.371100D-01 -0.278073D+01  0.126275D+01  0.145047D+01 -0.192878D+00
      2   0.884654D+00  0.343082D+01 -0.161904D+01 -0.102430D+01  0.224219D+00
      3  -0.897768D+01 -0.723969D+00 -0.103799D+01 -0.160754D+01  0.124483D+00
                91            92            93            94            95 
      1  -0.162598D+00 -0.606699D+00  0.126098D+01 -0.102715D-01  0.176094D+00
      2  -0.182051D+01  0.293883D+00  0.647047D+01  0.156756D+01 -0.722842D+00
      3   0.199291D+01 -0.577639D+01 -0.223156D+00 -0.381819D+01  0.291438D+01
                96            97            98            99           100 
      1  -0.727517D+00 -0.873925D+00  0.648967D+00 -0.123559D+00  0.288755D+00
      2  -0.186333D+01 -0.239228D+01  0.526180D+00 -0.669299D+00  0.698106D+00
      3   0.678793D+00 -0.179854D+01  0.148239D+01  0.883113D-01 -0.394060D+01
               101           102           103           104           105 
      1   0.550175D-02  0.109069D+01 -0.285921D+00  0.895460D+00 -0.494494D+01
      2  -0.892233D+00 -0.878974D-01 -0.132548D+01  0.241894D+01  0.779315D+00
      3   0.379160D+01  0.965102D+00  0.655467D+01 -0.126423D+02 -0.287596D+01
               106           107           108           109           110 
      1  -0.253151D+00  0.225851D+01 -0.752583D+00 -0.167663D+00  0.122703D+00
      2  -0.138113D+01  0.659756D+00  0.268249D-01 -0.375896D+00  0.460119D+00
      3   0.146133D+01 -0.325563D+01 -0.470471D+00  0.861214D+00 -0.133698D+01
               111           112           113           114           115 
      1   0.120869D+01  0.123811D+00  0.674768D+00 -0.488486D+01 -0.336321D+00
      2   0.108130D+01  0.101163D+00 -0.313239D+01 -0.301393D+01 -0.896026D+00
      3  -0.369426D+00  0.951082D+00  0.146580D+02  0.290139D+01 -0.137788D+00
               116           117           118           119           120 
      1   0.203561D+01 -0.727376D+00 -0.748153D+00 -0.610309D+00  0.149155D+01
      2  -0.124790D+00 -0.468615D+00 -0.986762D+00  0.379932D+00  0.287415D+01
      3   0.324839D+01  0.290903D+00  0.137053D+01 -0.330502D+01  0.147757D+00
               121           122           123           124           125 
      1   0.221884D+00  0.578528D+00 -0.285026D+01  0.206199D+01  0.116536D+01
      2  -0.384337D+00 -0.243786D+01 -0.512229D+01  0.101870D+01 -0.393289D+01
      3   0.105062D+01  0.338785D+01  0.362362D+01  0.118897D+01  0.492506D+01
               126           127           128           129           130 
      1  -0.370233D+01  0.304449D+01  0.206057D+01  0.282225D+01 -0.132397D+01
      2  -0.803433D+01  0.115961D+02 -0.646671D+01  0.779129D+01 -0.617837D+01
      3   0.374129D+01  0.902333D+01 -0.134911D+02  0.146278D+01 -0.573106D+01
               131           132           133           134           135 
      1   0.388137D+01 -0.111603D+02  0.239702D+01 -0.624664D+01 -0.701280D+01
      2  -0.597049D+01 -0.715786D+01  0.506723D+01 -0.757267D+01 -0.676996D+01
      3  -0.173398D+02  0.712747D+01 -0.155120D+00  0.715921D+01  0.478468D+01
               136           137           138           139           140 
      1   0.295773D-02  0.760265D+00  0.226986D-01  0.828784D+00  0.407343D-01
      2  -0.419300D+00 -0.105360D+00  0.904005D+00 -0.328724D+00 -0.253329D+01
      3  -0.741365D+00  0.699153D+00 -0.190069D+00  0.289045D+01 -0.119551D+01
               141           142           143           144           145 
      1  -0.142895D+01 -0.138234D+01  0.232890D+01  0.655824D+01 -0.232182D+01
      2   0.338788D+01  0.746993D+00  0.455694D+01 -0.183015D+02  0.900522D+01
      3   0.232152D+01 -0.107869D+01  0.529050D+01 -0.262098D+01  0.655404D+01
               146           147           148           149           150 
      1  -0.856213D+00 -0.165547D+01 -0.763273D+00 -0.460887D+00 -0.133223D+01
      2   0.116185D+01  0.666311D+01  0.941563D+00  0.153877D+01  0.114225D+01
      3  -0.587048D+01  0.116437D+01 -0.414546D+00  0.338919D+00 -0.128906D+01
               151           152           153           154           155 
      1  -0.163581D+01  0.837093D-02 -0.810602D+00  0.415948D+00 -0.895749D+00
      2   0.416519D+01  0.147058D+01  0.172079D+01  0.206456D+00  0.589784D+00
      3   0.240432D+01 -0.294172D+01  0.193526D+00 -0.153572D+01  0.502487D-02
               156           157           158           159           160 
      1  -0.951059D-02  0.186057D+01  0.615381D+01 -0.604185D+01 -0.200383D+01
      2   0.111497D+01 -0.496660D+00 -0.216107D+01  0.132852D+01  0.118916D+00
      3  -0.129848D+01  0.500159D+01 -0.869432D+01  0.223679D+01 -0.234062D+01
               161           162           163           164           165 
      1  -0.411587D+01  0.235506D+01 -0.312771D+01 -0.105542D+01 -0.356627D+01
      2   0.144027D+01 -0.880024D+00 -0.621600D+00  0.683575D+00  0.253236D+01
      3   0.493832D+01 -0.867799D+00  0.593648D+01 -0.125668D+00  0.211571D+01
               166           167           168           169           170 
      1  -0.125205D+01 -0.160357D+01 -0.316813D+01 -0.659273D+01 -0.493266D+01
      2   0.657119D+00  0.100697D+01  0.139457D+01  0.683279D+00  0.284560D+01
      3  -0.300703D+00 -0.244345D+00  0.831279D-01  0.691559D+01  0.155718D+01
               171           172           173           174           175 
      1  -0.152896D+02  0.120046D+01 -0.155041D+01 -0.135043D+01 -0.637093D+00
      2   0.635231D+01  0.154558D+01 -0.249503D+00 -0.218595D+01 -0.111908D+01
      3   0.220008D+01 -0.809480D+00  0.895740D+00 -0.615691D+00  0.106896D+01
               176           177           178           179           180 
      1   0.512031D+01  0.460865D+01 -0.911274D-01  0.684506D+01  0.104690D+02
      2   0.342263D+01  0.667966D+01 -0.320166D+01  0.354970D+01  0.140854D+02
      3  -0.282613D+01 -0.327584D+01 -0.744309D+00 -0.448398D+01 -0.359533D+01
               181           182           183           184           185 
      1   0.103704D+00  0.116568D+01  0.260314D+01  0.724903D+00 -0.492066D+00
      2  -0.778353D+01  0.894978D+00  0.646392D+01  0.129872D+01  0.281165D-01
      3  -0.132669D+02 -0.378992D+01 -0.145513D+00  0.377828D+00  0.176916D+01
               186           187           188           189           190 
      1  -0.295260D+00  0.107901D+01  0.107318D+01  0.209609D+00 -0.130139D+01
      2   0.125923D+00  0.106061D+01  0.409059D+00 -0.443779D+00  0.134333D+01
      3  -0.522285D+00  0.522998D+00 -0.104819D+00 -0.178132D+01  0.535173D+01
               191           192           193           194           195 
      1  -0.138585D+01 -0.197606D+01 -0.125249D+01 -0.482835D+01 -0.306208D+01
      2   0.260991D+01 -0.151379D+01  0.223189D+01  0.609762D+01 -0.310543D+01
      3   0.677019D+01 -0.144330D+01  0.733613D+01  0.199861D+02 -0.496482D+01
               196           197           198 
      1  -0.437733D+00  0.116255D+01  0.116982D+01
      2  -0.146853D+01 -0.202950D+01  0.243111D+01
      3   0.953075D-01 -0.359599D+01  0.294290D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.345248D+01 -0.216317D+02 -0.333986D+01  0.278273D+02  0.841238D+00
      2  -0.133942D+01  0.149046D+02 -0.158034D+01 -0.278261D+02 -0.443861D+01
      3   0.479190D+01  0.672714D+01  0.492020D+01 -0.120840D-02  0.359737D+01
      4  -0.194978D+02  0.107577D+02  0.509755D+01  0.189633D+01 -0.152384D+02
      5   0.150762D+01  0.327371D+01  0.100796D+02 -0.658450D+01 -0.847186D+01
      6   0.267480D+01  0.260804D+01  0.896136D+01 -0.828657D+01 -0.455305D+01
                 6             7             8             9            10 
      1  -0.545857D+00  0.111167D+02  0.367159D+01  0.636389D+01 -0.108615D+02
      2   0.249025D+01 -0.122074D+02 -0.616908D+01 -0.108755D+02  0.634360D+01
      3  -0.194439D+01  0.109073D+01  0.249749D+01  0.451162D+01  0.451794D+01
      4  -0.105752D+02 -0.174376D+01 -0.102018D+02  0.132849D+02  0.652232D+01
      5   0.126816D+02  0.267138D+02  0.154239D+02  0.762156D+01  0.725343D+01
      6   0.270018D+01  0.837470D+01  0.118529D+02 -0.258924D+01  0.140646D+00
                11            12            13            14            15 
      1   0.637497D+01  0.763560D+01 -0.209979D+02 -0.187486D+02 -0.670494D+01
      2  -0.349443D+01 -0.259046D+01  0.186394D+02  0.185006D+02  0.869159D+01
      3  -0.288054D+01 -0.504514D+01  0.235843D+01  0.247992D+00 -0.198665D+01
      4   0.230177D+02 -0.400592D+00 -0.205868D+02  0.125879D+02  0.797180D+01
      5  -0.669304D+00  0.164703D+02 -0.119160D+02  0.527667D+01 -0.494140D+01
      6   0.127254D+00 -0.414924D+01  0.661409D+01  0.429534D+01 -0.392254D+01
                16            17            18            19            20 
      1   0.472219D+01 -0.894489D+01  0.128389D+02  0.107343D+02  0.548614D+01
      2   0.195877D+01  0.633576D+01 -0.179610D+02 -0.801337D+01 -0.686884D+01
      3  -0.668096D+01  0.260913D+01  0.512215D+01 -0.272094D+01  0.138270D+01
      4  -0.135310D+02  0.384362D+01 -0.396676D+01  0.852496D+01 -0.214278D+02
      5   0.346072D+02 -0.585430D+01 -0.921410D+01 -0.173421D+01 -0.178067D+01
      6  -0.196608D+01  0.676304D+01 -0.332900D+01 -0.132958D+01  0.201041D+01
                21            22            23            24            25 
      1  -0.201117D+01  0.584193D+01  0.107887D+02  0.576870D+01 -0.157316D+01
      2   0.205388D+01  0.450627D+00 -0.161701D+02 -0.867053D+01  0.159728D+01
      3  -0.427126D-01 -0.629256D+01  0.538138D+01  0.290183D+01 -0.241216D-01
      4  -0.390237D+01  0.168082D+02  0.105879D+02  0.258796D+00  0.124685D+01
      5  -0.548266D+01  0.764648D+00  0.734912D+00  0.328403D+01  0.223637D+01
      6  -0.582446D+01  0.301616D+01 -0.127059D+02  0.446901D+01  0.350610D-01
                26            27            28            29            30 
      1   0.439620D+01 -0.146956D+02 -0.214001D+02  0.859601D+01  0.278936D+01
      2  -0.109105D+02  0.509931D+00  0.128327D+02 -0.452706D+01  0.180131D+00
      3   0.651432D+01  0.141857D+02  0.856738D+01 -0.406895D+01 -0.296949D+01
      4   0.320517D+01  0.947004D+01 -0.116358D+02  0.938899D+01  0.715769D+00
      5   0.849935D+01  0.755668D+01  0.392400D+01 -0.128489D+01 -0.220260D+01
      6   0.141046D+02  0.544929D+01 -0.296624D+01 -0.227476D+00 -0.226199D+01
                31            32            33            34            35 
      1  -0.168597D+01 -0.291629D+01 -0.328235D+00  0.777544D+01 -0.144271D+01
      2   0.673859D+01  0.901907D+01  0.192617D+01 -0.442419D+00 -0.156280D+00
      3  -0.505262D+01 -0.610277D+01 -0.159794D+01 -0.733302D+01  0.159899D+01
      4  -0.361051D+01  0.892690D+01  0.899721D+00 -0.442354D+01  0.108488D+01
      5  -0.258301D+01 -0.574580D+00 -0.266789D+00  0.419431D+01 -0.885535D+00
      6   0.506337D+01  0.250752D+01  0.202958D+01 -0.176236D+01  0.651617D+01
                36            37            38            39            40 
      1  -0.891701D+01 -0.164991D+02 -0.242607D+02 -0.473654D+01 -0.825888D+01
      2  -0.300461D+01  0.124112D+02  0.168939D+02  0.276318D+01 -0.756728D+00
      3   0.119216D+02  0.408799D+01  0.736682D+01  0.197336D+01  0.901561D+01
      4  -0.338467D+01 -0.442065D+01 -0.377976D+01  0.204858D+01  0.475759D+01
      5   0.775604D+00 -0.901322D+00  0.225403D+01 -0.180402D+01  0.447265D+01
      6  -0.424931D+00  0.610127D+01  0.370908D+01  0.253189D+01 -0.590111D+01
                41            42            43            44            45 
      1  -0.896461D+01  0.329210D+01 -0.474683D+00  0.594606D+01 -0.108731D+02
      2   0.966426D+01  0.397836D+00 -0.113664D+01 -0.459610D+01  0.104381D+01
      3  -0.699652D+00 -0.368994D+01  0.161132D+01 -0.134997D+01  0.982925D+01
      4  -0.678965D+01 -0.204711D+01  0.179284D+01 -0.134650D+00 -0.150102D+01
      5  -0.161115D+01 -0.246619D+01  0.448422D+01 -0.289038D+01  0.273119D+00
      6  -0.244340D+00  0.220413D+01  0.106762D+01  0.894283D+01 -0.138167D+01
                46            47            48            49            50 
      1   0.157745D+02  0.154273D+02 -0.151971D+01 -0.181402D+02  0.141373D+02
      2  -0.134443D+02 -0.104962D+02 -0.994800D+00  0.157000D+02 -0.204134D+02
      3  -0.233012D+01 -0.493106D+01  0.251451D+01  0.244017D+01  0.627608D+01
      4   0.615413D+01 -0.158023D+02 -0.536507D+01  0.123034D+02 -0.184391D+01
      5   0.320115D+01 -0.443590D+01 -0.447270D+01  0.102355D+01  0.466599D+01
      6  -0.631997D+01  0.175468D+01  0.820541D+00  0.376148D+01 -0.115362D+02
                51            52            53            54            55 
      1   0.389194D+01 -0.601572D+01 -0.907677D+00 -0.736309D+01  0.206817D+02
      2  -0.739725D+01  0.783031D+01 -0.726000D+01 -0.421120D+01 -0.100687D+02
      3   0.350531D+01 -0.181459D+01  0.816768D+01  0.115743D+02 -0.106130D+02
      4   0.483446D+01 -0.270314D+01  0.101697D+02 -0.135540D+02  0.108344D+02
      5  -0.958714D+01  0.865787D+01 -0.129270D+02 -0.695080D+01 -0.108633D+01
      6   0.536365D+01 -0.462027D+01  0.128137D+02  0.266837D+01  0.266384D+01
                56            57            58            59            60 
      1  -0.525695D+01  0.342922D+01 -0.444555D+01 -0.492507D+01  0.387324D+01
      2   0.287691D+01 -0.186473D+01 -0.460421D+00  0.440374D+01 -0.413764D+01
      3   0.238005D+01 -0.156448D+01  0.490597D+01  0.521329D+00  0.264397D+00
      4  -0.107220D+02  0.203236D+01 -0.224985D+02 -0.515038D+01  0.613388D+01
      5   0.264527D+01 -0.926751D+01  0.461228D+01  0.743615D+01  0.144242D+02
      6  -0.137713D+01  0.750394D+01  0.305491D+01 -0.477080D+01 -0.126007D+02
                61            62            63            64            65 
      1  -0.564518D+01  0.611325D+01  0.228275D+01 -0.347631D+02 -0.121360D+02
      2  -0.536720D+00  0.831113D+00 -0.168414D+01  0.116460D+02  0.897897D+01
      3   0.618190D+01 -0.694436D+01 -0.598610D+00  0.231171D+02  0.315707D+01
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      6   0.162625D+01  0.937129D+01 -0.493044D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 20:44:36 2021, MaxMem=  5637144576 cpu:           39725.5 elap:            4994.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.02405 -10.02118 -10.01842 -10.01768 -10.01754
 Alpha  occ. eigenvalues --  -10.01720 -10.01707 -10.01687 -10.01341 -10.00607
 Alpha  occ. eigenvalues --   -0.94675  -0.88968  -0.83755  -0.80099  -0.78672
 Alpha  occ. eigenvalues --   -0.72905  -0.68593  -0.65358  -0.64058  -0.58272
 Alpha  occ. eigenvalues --   -0.55961  -0.53833  -0.52645  -0.50390  -0.49170
 Alpha  occ. eigenvalues --   -0.47893  -0.47097  -0.46136  -0.44958  -0.42459
 Alpha  occ. eigenvalues --   -0.41112  -0.40345  -0.39990  -0.39394  -0.33078
 Alpha  occ. eigenvalues --   -0.31591
 Alpha virt. eigenvalues --    0.02974   0.03610   0.03747   0.04055   0.04894
 Alpha virt. eigenvalues --    0.05158   0.05402   0.05793   0.06449   0.06536
 Alpha virt. eigenvalues --    0.07164   0.07741   0.08524   0.09369   0.10662
 Alpha virt. eigenvalues --    0.11169   0.11813   0.12619   0.12747   0.12953
 Alpha virt. eigenvalues --    0.13876   0.13928   0.14284   0.14399   0.14609
 Alpha virt. eigenvalues --    0.15442   0.15902   0.16233   0.16696   0.16973
 Alpha virt. eigenvalues --    0.17356   0.17434   0.17965   0.18567   0.18823
 Alpha virt. eigenvalues --    0.19559   0.20312   0.20505   0.20862   0.21179
 Alpha virt. eigenvalues --    0.21925   0.22120   0.22970   0.23529   0.23753
 Alpha virt. eigenvalues --    0.24156   0.25125   0.25226   0.25587   0.26876
 Alpha virt. eigenvalues --    0.27772   0.27792   0.28663   0.29306   0.29667
 Alpha virt. eigenvalues --    0.29875   0.30222   0.30781   0.31336   0.32489
 Alpha virt. eigenvalues --    0.32803   0.33008   0.33433   0.33802   0.34825
 Alpha virt. eigenvalues --    0.35157   0.36089   0.36839   0.37329   0.37822
 Alpha virt. eigenvalues --    0.38230   0.38522   0.39652   0.40675   0.41008
 Alpha virt. eigenvalues --    0.41419   0.41643   0.42737   0.43446   0.44041
 Alpha virt. eigenvalues --    0.44729   0.45210   0.46162   0.46559   0.47088
 Alpha virt. eigenvalues --    0.47240   0.47889   0.48951   0.49745   0.50330
 Alpha virt. eigenvalues --    0.51372   0.51867   0.52573   0.52740   0.53364
 Alpha virt. eigenvalues --    0.53757   0.54570   0.55028   0.56029   0.56845
 Alpha virt. eigenvalues --    0.57685   0.58093   0.58863   0.59280   0.59924
 Alpha virt. eigenvalues --    0.60723   0.60793   0.61704   0.62185   0.62423
 Alpha virt. eigenvalues --    0.63130   0.63264   0.64203   0.64756   0.65330
 Alpha virt. eigenvalues --    0.65884   0.66592   0.66923   0.67998   0.68240
 Alpha virt. eigenvalues --    0.69340   0.70182   0.70994   0.71066   0.71633
 Alpha virt. eigenvalues --    0.72076   0.72709   0.73370   0.73990   0.74363
 Alpha virt. eigenvalues --    0.74525   0.75903   0.76343   0.77215   0.77875
 Alpha virt. eigenvalues --    0.78738   0.79256   0.80066   0.80274   0.81511
 Alpha virt. eigenvalues --    0.82380   0.83448   0.84013   0.84512   0.85110
 Alpha virt. eigenvalues --    0.85331   0.85462   0.86414   0.87204   0.87829
 Alpha virt. eigenvalues --    0.88398   0.89559   0.91013   0.91720   0.92726
 Alpha virt. eigenvalues --    0.94786   0.95599   0.96971   0.97988   0.98942
 Alpha virt. eigenvalues --    1.01078   1.01726   1.02328   1.03812   1.05391
 Alpha virt. eigenvalues --    1.06091   1.07727   1.08132   1.08263   1.10292
 Alpha virt. eigenvalues --    1.10709   1.12813   1.12990   1.15309   1.17245
 Alpha virt. eigenvalues --    1.20271   1.21902   1.23229   1.25215   1.25703
 Alpha virt. eigenvalues --    1.29496   1.30801   1.34544   1.37726   1.38370
 Alpha virt. eigenvalues --    1.39244   1.40791   1.41897   1.42498   1.43225
 Alpha virt. eigenvalues --    1.43853   1.44601   1.46322   1.47281   1.48966
 Alpha virt. eigenvalues --    1.49393   1.50571   1.53367   1.54376   1.56219
 Alpha virt. eigenvalues --    1.56352   1.57061   1.58215   1.61215   1.62261
 Alpha virt. eigenvalues --    1.62471   1.63815   1.64651   1.65631   1.66029
 Alpha virt. eigenvalues --    1.68561   1.69317   1.70428   1.72182   1.74284
 Alpha virt. eigenvalues --    1.75261   1.75764   1.76508   1.76935   1.77984
 Alpha virt. eigenvalues --    1.79492   1.80718   1.82731   1.83538   1.84045
 Alpha virt. eigenvalues --    1.85888   1.87594   1.87960   1.89917   1.90521
 Alpha virt. eigenvalues --    1.91076   1.91848   1.93067   1.94248   1.95611
 Alpha virt. eigenvalues --    1.96688   1.98010   2.00105   2.02919   2.03342
 Alpha virt. eigenvalues --    2.04545   2.05331   2.06088   2.07769   2.07968
 Alpha virt. eigenvalues --    2.08157   2.11024   2.12131   2.14362   2.15676
 Alpha virt. eigenvalues --    2.15985   2.17969   2.19840   2.20384   2.22902
 Alpha virt. eigenvalues --    2.24272   2.25438   2.27469   2.28126   2.29588
 Alpha virt. eigenvalues --    2.30111   2.31517   2.32983   2.37006   2.38499
 Alpha virt. eigenvalues --    2.39224   2.42440   2.44590   2.45636   2.47878
 Alpha virt. eigenvalues --    2.48741   2.52464   2.55231   2.58117   2.59215
 Alpha virt. eigenvalues --    2.60188   2.61012   2.63619   2.65226   2.68165
 Alpha virt. eigenvalues --    2.69137   2.72471   2.76138   2.79720   2.80200
 Alpha virt. eigenvalues --    2.83590   2.85735   2.87744   2.90683   2.93415
 Alpha virt. eigenvalues --    2.99027   3.02256   3.07095   3.09369   3.11494
 Alpha virt. eigenvalues --    3.16087   3.44516   3.57626   3.62020   3.75695
 Alpha virt. eigenvalues --    3.94111   4.72846
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.017843  -5.315567  -7.110128   4.110426  -4.727719   5.408452
     2  C   -5.315567  13.619058   5.858133  -5.483771   3.525619  -6.142537
     3  C   -7.110128   5.858133  27.425824 -13.842155   5.356875  -8.419669
     4  C    4.110426  -5.483771 -13.842155  29.470652 -13.034168   5.869318
     5  C   -4.727719   3.525619   5.356875 -13.034168  26.271016 -10.480658
     6  C    5.408452  -6.142537  -8.419669   5.869318 -10.480658  23.823446
     7  C    0.083681  -0.032489  -2.420522   0.588122  -3.656855   0.121210
     8  C   -0.064842  -0.093547  -0.421693  -0.434399  -0.250630  -0.158928
     9  C   -0.252185   0.443870   0.960678  -3.747628   2.010601  -3.438188
    10  H   -1.762553   0.869343   0.835606  -0.207169   0.057957  -0.306148
    11  H    0.882352  -1.646948  -0.275753   0.061966  -0.224711   0.731365
    12  H    0.837451  -0.372621  -2.742140   1.623935  -0.655075   0.346895
    13  H   -0.350378   0.617603   0.251429  -0.319588   1.243925  -2.185997
    14  H   -0.096040   0.058438   0.291103  -0.013331   0.336021  -0.096024
    15  C    0.120678  -0.062040  -0.367645  -0.033548  -0.012414   0.105730
    16  H   -0.003127  -0.010523   0.142726  -0.105483  -0.081172  -0.057432
    17  H    0.016638  -0.008915  -0.115138   0.421779   0.009391   0.042339
    18  H    0.055567  -0.128632  -0.126098   0.411281   0.059200   0.146747
    19  H   -0.037025   0.030360   0.123148   0.036053   0.083762  -0.069709
    20  H   -0.011148   0.004742   0.096316  -0.387758   0.169910   0.030562
    21  H   -0.002456  -0.002216  -0.073540   0.322962  -0.102557   0.009507
    22  H    0.049425   0.014250   0.064877  -0.148778  -0.018647  -0.050777
               7          8          9         10         11         12
     1  C    0.083681  -0.064842  -0.252185  -1.762553   0.882352   0.837451
     2  C   -0.032489  -0.093547   0.443870   0.869343  -1.646948  -0.372621
     3  C   -2.420522  -0.421693   0.960678   0.835606  -0.275753  -2.742140
     4  C    0.588122  -0.434399  -3.747628  -0.207169   0.061966   1.623935
     5  C   -3.656855  -0.250630   2.010601   0.057957  -0.224711  -0.655075
     6  C    0.121210  -0.158928  -3.438188  -0.306148   0.731365   0.346895
     7  C   13.242603  -0.120896  -1.041725   0.059303  -0.042147   0.149454
     8  C   -0.120896   6.485154   0.332602   0.004950   0.009371   0.007509
     9  C   -1.041725   0.332602  10.724333  -0.028998   0.042334  -0.050206
    10  H    0.059303   0.004950  -0.028998   2.559298  -0.169258  -0.190780
    11  H   -0.042147   0.009371   0.042334  -0.169258   2.540333  -0.028186
    12  H    0.149454   0.007509  -0.050206  -0.190780  -0.028186   2.867122
    13  H    0.016176  -0.016169   0.151768  -0.024140  -0.188206   0.019077
    14  H   -1.347694   0.152791   0.109912  -0.003507   0.001483  -0.017318
    15  C    0.418860  -0.173482  -0.144570   0.001314   0.000756   0.097813
    16  H    0.480197  -0.250004  -0.167715  -0.000598   0.000118   0.002817
    17  H   -0.509563  -0.292302   0.231775   0.000735   0.000597  -0.004449
    18  H    0.043255   0.110411  -0.694236   0.001926  -0.001925  -0.007937
    19  H    0.089267  -0.102650   0.028157  -0.000821  -0.000941  -0.001895
    20  H    0.073944  -0.108654  -0.105567  -0.000629   0.000700   0.010820
    21  H   -0.299631   0.100666   0.047426   0.000357  -0.000180   0.003983
    22  H    0.218220  -0.061534   0.009654   0.000364   0.000665  -0.038127
              13         14         15         16         17         18
     1  C   -0.350378  -0.096040   0.120678  -0.003127   0.016638   0.055567
     2  C    0.617603   0.058438  -0.062040  -0.010523  -0.008915  -0.128632
     3  C    0.251429   0.291103  -0.367645   0.142726  -0.115138  -0.126098
     4  C   -0.319588  -0.013331  -0.033548  -0.105483   0.421779   0.411281
     5  C    1.243925   0.336021  -0.012414  -0.081172   0.009391   0.059200
     6  C   -2.185997  -0.096024   0.105730  -0.057432   0.042339   0.146747
     7  C    0.016176  -1.347694   0.418860   0.480197  -0.509563   0.043255
     8  C   -0.016169   0.152791  -0.173482  -0.250004  -0.292302   0.110411
     9  C    0.151768   0.109912  -0.144570  -0.167715   0.231775  -0.694236
    10  H   -0.024140  -0.003507   0.001314  -0.000598   0.000735   0.001926
    11  H   -0.188206   0.001483   0.000756   0.000118   0.000597  -0.001925
    12  H    0.019077  -0.017318   0.097813   0.002817  -0.004449  -0.007937
    13  H    2.581750  -0.005030   0.002223   0.000550   0.001294  -0.018220
    14  H   -0.005030   2.283742  -0.038654  -0.206036   0.051914   0.026104
    15  C    0.002223  -0.038654   4.557045   0.080735  -0.071047   0.011518
    16  H    0.000550  -0.206036   0.080735   2.189457  -0.562071  -0.217000
    17  H    0.001294   0.051914  -0.071047  -0.562071   2.439550   0.075781
    18  H   -0.018220   0.026104   0.011518  -0.217000   0.075781   1.908819
    19  H    0.006261  -0.014810   0.000623   0.141768  -0.269885  -0.422480
    20  H   -0.001449   0.091709   0.314957  -0.001682  -0.049239   0.004619
    21  H    0.000642  -0.046134   0.191767   0.040204  -0.039179  -0.001826
    22  H   -0.001001  -0.034496   0.157075  -0.008514   0.024800   0.001703
              19         20         21         22
     1  C   -0.037025  -0.011148  -0.002456   0.049425
     2  C    0.030360   0.004742  -0.002216   0.014250
     3  C    0.123148   0.096316  -0.073540   0.064877
     4  C    0.036053  -0.387758   0.322962  -0.148778
     5  C    0.083762   0.169910  -0.102557  -0.018647
     6  C   -0.069709   0.030562   0.009507  -0.050777
     7  C    0.089267   0.073944  -0.299631   0.218220
     8  C   -0.102650  -0.108654   0.100666  -0.061534
     9  C    0.028157  -0.105567   0.047426   0.009654
    10  H   -0.000821  -0.000629   0.000357   0.000364
    11  H   -0.000941   0.000700  -0.000180   0.000665
    12  H   -0.001895   0.010820   0.003983  -0.038127
    13  H    0.006261  -0.001449   0.000642  -0.001001
    14  H   -0.014810   0.091709  -0.046134  -0.034496
    15  C    0.000623   0.314957   0.191767   0.157075
    16  H    0.141768  -0.001682   0.040204  -0.008514
    17  H   -0.269885  -0.049239  -0.039179   0.024800
    18  H   -0.422480   0.004619  -0.001826   0.001703
    19  H    1.499302  -0.006297   0.012516  -0.002325
    20  H   -0.006297   1.769362  -0.347942  -0.395095
    21  H    0.012516  -0.347942   1.791672  -0.359281
    22  H   -0.002325  -0.395095  -0.359281   1.803124
 Mulliken charges:
               1
     1  C    0.150654
     2  C    0.258391
     3  C    0.507765
     4  C    0.841284
     5  C    0.120327
     6  C    0.770497
     7  C   -0.112767
     8  C    1.346278
     9  C    0.577909
    10  H   -0.696551
    11  H   -0.693786
    12  H   -0.858145
    13  H   -0.782520
    14  H   -0.484145
    15  C    0.842305
    16  H   -0.407213
    17  H   -0.394807
    18  H   -0.238575
    19  H   -0.122377
    20  H   -0.152181
    21  H   -0.246761
    22  H   -0.225583
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.545897
     2  C   -0.435394
     3  C   -0.350380
     4  C    0.841284
     5  C    0.120327
     6  C   -0.012023
     7  C   -0.596913
     8  C    0.544258
     9  C    0.216957
    15  C    0.217780
 Electronic spatial extent (au):  <R**2>=           1393.6898
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6616    Y=              0.1319    Z=             -0.0135  Tot=              0.6748
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.9663   YY=            -57.4649   ZZ=            -63.7133
   XY=              0.1191   XZ=             -0.6971   YZ=              1.4048
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7485   YY=              2.2499   ZZ=             -3.9985
   XY=              0.1191   XZ=             -0.6971   YZ=              1.4048
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -8.0279  YYY=             -0.2809  ZZZ=             -0.7361  XYY=             -3.5069
  XXY=             -0.5637  XXZ=              1.7680  XZZ=              7.2429  YZZ=              1.7255
  YYZ=             -1.5195  XYZ=             -1.5496
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1153.7905 YYYY=           -567.1714 ZZZZ=           -174.0591 XXXY=              1.5307
 XXXZ=             -7.3924 YYYX=              1.3046 YYYZ=              5.9551 ZZZX=             -2.5899
 ZZZY=              0.8476 XXYY=           -292.6311 XXZZ=           -246.0397 YYZZ=           -130.3903
 XXYZ=              7.9771 YYXZ=             -2.1773 ZZXY=              0.8732
 N-N= 5.059870942501D+02 E-N=-1.910485514190D+03  KE= 3.852842061729D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 20:44:37 2021, MaxMem=  5637144576 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28257933D-01 4.59182780D-02-1.27765492D-02
 Polarizability= 1.37576691D+02 1.42875506D+00 1.17519961D+02
                -2.29571087D+00 5.20228097D+00 7.75956099D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1492    1.1494        0.8606    0.8600
 2     -1.1492   -1.1494       -2.6023   -2.6022      -11.2104  -11.2103
 3     -0.8606   -0.8600       31.7639   31.7631        2.6033    2.6022
 4      2.6023    2.6022       -0.0000    0.0000       -0.8601   -0.8600
 5    -20.5535  -20.5528        0.8601    0.8600        1.1488    1.1494
 6     -2.6033   -2.6022       -1.1488   -1.1494       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.4483   -3.4483        2.5799    2.5799
 2      7.8065    7.8065        0.0000    0.0000        2.5799    2.5799
 3      7.8065    7.8065       -3.4483   -3.4483        0.0000    0.0000
 4     -3.4483   -3.4483       -7.8065   -7.8065      -33.6309  -33.6309
 5     -2.5799   -2.5799       95.2894   95.2894        7.8065    7.8065
 6    -61.6585  -61.6585        2.5799    2.5799        3.4483    3.4483
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0128    0.0000       -4.6391   -4.5978       -3.4260   -3.4399
 2      4.5738    4.5978       10.4032   10.4087       44.8438   44.8412
 3      3.4548    3.4399     -127.0661 -127.0525      -10.4211  -10.4087
 4    -10.3932  -10.4087       -0.0182    0.0000        3.4308    3.4399
 5     82.1830   82.2114       -3.4238   -3.4399       -4.5638   -4.5978
 6     10.4570   10.4087        4.5760    4.5978       -0.0118    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0025    0.0000        4.1113    4.1255       -8.1502   -8.1088
 2     -4.1083   -4.1255       47.2527   47.2459       35.7391   35.7045
 3      8.1464    8.1088       17.9000   17.9109      -47.1574  -47.2459
 4    -47.2229  -47.2459        0.0042    0.0000        8.1198    8.1088
 5    -53.6795  -53.6154       -8.1133   -8.1088        4.1840    4.1255
 6     47.2226   47.2459       -4.0944   -4.1255        0.0056    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.9709   -4.9905       19.1275   19.0548       14.5964   14.6179
 2    -73.0016  -73.0269       20.1711   20.1556       14.6247   14.6179
 3    -72.9915  -73.0269       19.0911   19.0548       13.6687   13.6846
 4     -1.0814   -1.1008       68.0420   68.0364       34.6364   34.5414
 5     -0.9101   -0.9333       35.9142   35.9354      -67.9922  -68.0364
 6    -70.5121  -70.4769        0.9283    0.9333        1.1478    1.1008
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0005    0.0006    2.4026    5.2078    8.5405
 Low frequencies ---  106.0399  132.0549  212.3502
 Diagonal vibrational polarizability:
        1.0892232       1.0718862       6.1129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.0370               132.0531               212.3501
 Red. masses --      2.7203                 2.8873                 2.2959
 Frc consts  --      0.0180                 0.0297                 0.0610
 IR Inten    --      0.0022                 0.5622                 1.6550
 RamAct Fr= 1--      2.7515                 3.5625                 1.1456
  Dep-P Fr= 1--      0.7455                 0.7318                 0.6230
  Dep-U Fr= 1--      0.8542                 0.8451                 0.7677
 Alpha2 Fr= 1--      0.0002                 0.0011                 0.0027
 Beta2  Fr= 1--      0.3917                 0.5018                 0.1466
 AlphaG Fr= 1--      0.0009                 0.0010                 0.0041
 Gamma2 Fr= 1--      1.4090                 0.5344                -0.2723
 Delta2 Fr= 1--      0.8363                 0.0293                 0.0529
 Raman1 Fr= 1--      11.006                 14.250                  4.582
 ROA1   Fr= 1--     162.024                 52.237                -24.446
 CID1   Fr= 1--      14.722                  3.666                 -5.335
 Raman2 Fr= 1--       4.700                  6.022                  1.759
 ROA2   Fr= 1--      27.125                 12.591                 -6.957
 CID2   Fr= 1--       5.771                  2.091                 -3.956
 Raman3 Fr= 1--       9.401                 12.043                  3.518
 ROA3   Fr= 1--     162.024                 52.237                -24.446
 CID3   Fr= 1--      17.235                  4.338                 -6.949
 RC180  Fr= 1--       0.708                  0.690                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.04   0.04  -0.06     0.03  -0.03   0.14
     2   6     0.02  -0.00   0.05    -0.04   0.06  -0.17     0.02  -0.00  -0.01
     3   6    -0.03   0.01  -0.14    -0.03  -0.02   0.11     0.02  -0.02   0.04
     4   6    -0.00  -0.03  -0.04    -0.01  -0.04   0.15    -0.00   0.01  -0.10
     5   6     0.03  -0.04   0.06    -0.01  -0.03   0.10     0.01   0.01  -0.08
     6   6     0.04  -0.03   0.13    -0.02   0.03  -0.06     0.01   0.02  -0.13
     7   6    -0.00  -0.03   0.00    -0.01  -0.02   0.02     0.00   0.02  -0.07
     8   6    -0.05  -0.04  -0.15    -0.09  -0.01  -0.07    -0.01   0.03  -0.03
     9   6     0.05  -0.07   0.02     0.01  -0.05   0.12     0.05  -0.08   0.17
    10   1    -0.04   0.06  -0.18    -0.06   0.06  -0.12     0.04  -0.07   0.30
    11   1     0.03   0.01   0.09    -0.05   0.11  -0.33     0.02  -0.01   0.00
    12   1    -0.06   0.02  -0.23    -0.04  -0.03   0.15     0.03  -0.04   0.12
    13   1     0.07  -0.05   0.22    -0.01   0.05  -0.14     0.00   0.03  -0.17
    14   1     0.05  -0.15   0.10    -0.11  -0.02  -0.01     0.06   0.02  -0.05
    15   6    -0.03   0.19   0.15     0.21   0.03  -0.07    -0.10   0.05  -0.00
    16   1    -0.27  -0.08  -0.16    -0.31  -0.00  -0.08    -0.17   0.11  -0.01
    17   1     0.02  -0.01  -0.35    -0.02   0.03  -0.27     0.04   0.01  -0.15
    18   1     0.03  -0.03   0.12     0.00   0.01   0.26     0.16   0.09   0.48
    19   1     0.16  -0.17   0.01     0.10  -0.21   0.12     0.03  -0.45   0.25
    20   1    -0.09   0.34   0.04     0.36   0.04  -0.05    -0.28   0.02  -0.02
    21   1    -0.02   0.21   0.22     0.19   0.05  -0.27    -0.08   0.13   0.15
    22   1    -0.01   0.20   0.30     0.27   0.02   0.03    -0.05   0.02  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    246.1990               290.6034               365.3570
 Red. masses --      1.0453                 2.8329                 2.6788
 Frc consts  --      0.0373                 0.1410                 0.2107
 IR Inten    --      0.0263                 1.0015                 0.4251
 RamAct Fr= 1--      0.0302                 0.6287                 0.6773
  Dep-P Fr= 1--      0.5572                 0.5382                 0.2039
  Dep-U Fr= 1--      0.7157                 0.6997                 0.3387
 Alpha2 Fr= 1--      0.0001                 0.0026                 0.0091
 Beta2  Fr= 1--      0.0036                 0.0733                 0.0382
 AlphaG Fr= 1--     -0.0005                -0.0038                 0.0012
 Gamma2 Fr= 1--     -0.0456                 0.2572                -1.0558
 Delta2 Fr= 1--      0.0252                 0.0539                -0.2192
 Raman1 Fr= 1--       0.121                  2.515                  2.709
 ROA1   Fr= 1--      -3.576                 26.418               -108.370
 CID1   Fr= 1--     -29.602                 10.504                -40.004
 Raman2 Fr= 1--       0.043                  0.880                  0.459
 ROA2   Fr= 1--      -1.297                  5.742                -23.586
 CID2   Fr= 1--     -29.996                  6.525                -51.404
 Raman3 Fr= 1--       0.086                  1.760                  0.918
 ROA3   Fr= 1--      -3.576                 26.418               -108.370
 CID3   Fr= 1--     -41.363                 15.012               -118.093
 RC180  Fr= 1--       0.431                  0.399                 -0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.09   0.04   0.05    -0.03   0.02  -0.01
     2   6    -0.00   0.02   0.00    -0.04   0.05   0.10     0.00   0.05  -0.12
     3   6    -0.02  -0.00   0.00    -0.11  -0.00  -0.10    -0.03  -0.08   0.16
     4   6     0.00  -0.02   0.01    -0.03  -0.07  -0.10    -0.00  -0.06  -0.04
     5   6     0.00  -0.01   0.01    -0.03  -0.06  -0.12     0.03  -0.09   0.06
     6   6     0.01   0.00   0.01     0.00   0.01  -0.07     0.06  -0.05   0.11
     7   6     0.01  -0.01   0.01     0.03  -0.03   0.00    -0.00   0.02  -0.15
     8   6    -0.01  -0.00  -0.00     0.05  -0.02   0.14     0.07   0.02   0.06
     9   6    -0.01   0.00  -0.02    -0.05  -0.06   0.02    -0.01  -0.03  -0.01
    10   1    -0.02   0.03  -0.02    -0.11   0.06   0.15    -0.06   0.06  -0.05
    11   1    -0.00   0.03  -0.00    -0.01   0.07   0.24    -0.00   0.13  -0.29
    12   1    -0.03  -0.00  -0.00    -0.20  -0.02  -0.13    -0.07  -0.12   0.29
    13   1     0.03   0.01   0.01     0.09   0.03  -0.07     0.13  -0.05   0.20
    14   1     0.02   0.00   0.01     0.11  -0.01   0.01     0.04   0.04  -0.15
    15   6     0.02  -0.00   0.00     0.19   0.10   0.01    -0.08   0.14  -0.07
    16   1    -0.01  -0.02  -0.01     0.27   0.06   0.16     0.36   0.17   0.10
    17   1    -0.01   0.01  -0.01    -0.02  -0.07   0.34    -0.01  -0.10   0.33
    18   1    -0.03  -0.01  -0.05     0.00  -0.05   0.05    -0.11  -0.09  -0.11
    19   1    -0.00   0.04  -0.03    -0.19  -0.10   0.07    -0.03   0.12  -0.03
    20   1    -0.46  -0.30   0.09     0.30   0.21  -0.04    -0.18   0.28  -0.18
    21   1     0.10   0.51   0.23     0.18   0.19  -0.15    -0.07   0.14   0.05
    22   1     0.44  -0.24  -0.33     0.30   0.09   0.21    -0.09   0.16   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    413.0301               446.7862               536.0813
 Red. masses --      2.7330                 2.7308                 4.7337
 Frc consts  --      0.2747                 0.3212                 0.8015
 IR Inten    --      0.2925                 6.6577                 0.5122
 RamAct Fr= 1--      0.5647                 0.6693                10.6373
  Dep-P Fr= 1--      0.7447                 0.3992                 0.1859
  Dep-U Fr= 1--      0.8536                 0.5706                 0.3135
 Alpha2 Fr= 1--      0.0001                 0.0050                 0.1499
 Beta2  Fr= 1--      0.0803                 0.0637                 0.5557
 AlphaG Fr= 1--     -0.0006                 0.0040                 0.0039
 Gamma2 Fr= 1--      0.3409                 0.4140                -1.3680
 Delta2 Fr= 1--      0.0222                 0.2047                -0.1636
 Raman1 Fr= 1--       2.259                  2.677                 42.549
 ROA1   Fr= 1--      33.436                 46.294               -136.568
 CID1   Fr= 1--      14.803                 17.292                 -3.210
 Raman2 Fr= 1--       0.964                  0.764                  6.669
 ROA2   Fr= 1--       8.003                  8.299                -31.524
 CID2   Fr= 1--       8.301                 10.865                 -4.727
 Raman3 Fr= 1--       1.928                  1.528                 13.338
 ROA3   Fr= 1--      33.436                 46.294               -136.568
 CID3   Fr= 1--      17.341                 30.305                -10.239
 RC180  Fr= 1--       0.707                  0.141                 -0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.09  -0.02     0.02  -0.03   0.13     0.20   0.06  -0.11
     2   6    -0.03  -0.10  -0.01     0.04   0.00  -0.00     0.25   0.04   0.08
     3   6     0.03   0.05   0.00    -0.02   0.01  -0.16     0.13  -0.13   0.01
     4   6    -0.07   0.12   0.05     0.00  -0.04   0.09    -0.05  -0.04   0.07
     5   6    -0.02   0.14   0.03     0.05  -0.07   0.24    -0.03   0.01  -0.09
     6   6    -0.10   0.01   0.01     0.03   0.03  -0.15     0.10   0.16  -0.02
     7   6    -0.13  -0.04  -0.03    -0.03  -0.00  -0.05    -0.19  -0.05   0.00
     8   6     0.09  -0.15   0.03    -0.01   0.00   0.01    -0.19  -0.08   0.10
     9   6     0.15  -0.01   0.00    -0.01   0.02   0.01    -0.15  -0.03   0.02
    10   1     0.05  -0.13  -0.04     0.01  -0.03   0.20     0.09   0.19  -0.18
    11   1    -0.05  -0.15  -0.01     0.03   0.04  -0.10     0.23  -0.10   0.17
    12   1     0.17   0.09  -0.02    -0.05   0.08  -0.49     0.18  -0.12   0.02
    13   1    -0.25  -0.03   0.01     0.00   0.10  -0.51     0.13   0.16  -0.00
    14   1    -0.27  -0.10  -0.03    -0.07   0.01  -0.07    -0.27  -0.03  -0.04
    15   6     0.01   0.09  -0.05    -0.05   0.04  -0.04    -0.05   0.06  -0.07
    16   1     0.31  -0.07   0.05     0.06   0.05   0.03    -0.12  -0.03   0.11
    17   1     0.06  -0.35   0.20    -0.02  -0.05   0.07    -0.20  -0.15   0.15
    18   1     0.32   0.01   0.00    -0.20  -0.11  -0.20    -0.09  -0.04  -0.01
    19   1     0.17  -0.05   0.00     0.11   0.31  -0.07    -0.27  -0.03   0.05
    20   1    -0.03   0.14  -0.09    -0.11   0.10  -0.08    -0.01   0.13  -0.10
    21   1     0.03   0.33  -0.13    -0.05   0.05   0.03    -0.05   0.21  -0.19
    22   1     0.24   0.02   0.07    -0.06   0.06   0.01     0.11   0.01   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    555.3319               599.6320               668.6377
 Red. masses --      3.3375                 4.7828                 2.6843
 Frc consts  --      0.6064                 1.0132                 0.7071
 IR Inten    --      2.2008                 0.8571                 0.3238
 RamAct Fr= 1--      0.6952                 2.9982                 0.4063
  Dep-P Fr= 1--      0.7294                 0.7235                 0.0883
  Dep-U Fr= 1--      0.8435                 0.8396                 0.1623
 Alpha2 Fr= 1--      0.0002                 0.0014                 0.0073
 Beta2  Fr= 1--      0.0977                 0.4196                 0.0110
 AlphaG Fr= 1--      0.0041                 0.0049                -0.0199
 Gamma2 Fr= 1--      0.7891                -0.1458                 0.2104
 Delta2 Fr= 1--      0.1523                 0.2356                -0.0756
 Raman1 Fr= 1--       2.781                 11.993                  1.625
 ROA1   Fr= 1--      80.626                 -6.456                 17.780
 CID1   Fr= 1--      28.996                 -0.538                 10.941
 Raman2 Fr= 1--       1.173                  5.035                  0.132
 ROA2   Fr= 1--      17.720                 -5.384                  5.654
 CID2   Fr= 1--      15.110                 -1.069                 42.868
 Raman3 Fr= 1--       2.346                 10.069                  0.264
 ROA3   Fr= 1--      80.626                 -6.456                 17.780
 CID3   Fr= 1--      34.374                 -0.641                 67.398
 RC180  Fr= 1--       0.687                  0.679                 -0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.17    -0.18  -0.16  -0.01     0.03  -0.04   0.08
     2   6    -0.01  -0.06   0.21     0.17  -0.07  -0.05     0.07   0.03  -0.07
     3   6    -0.05  -0.03   0.09    -0.17  -0.11  -0.01    -0.02  -0.13  -0.09
     4   6     0.02  -0.07   0.23    -0.13  -0.02  -0.05    -0.09  -0.03   0.06
     5   6     0.03  -0.02  -0.05     0.17   0.06  -0.06    -0.06  -0.01  -0.01
     6   6     0.01  -0.03  -0.14     0.20  -0.09  -0.03    -0.01   0.09   0.10
     7   6     0.03   0.07  -0.03    -0.14   0.06   0.11    -0.05   0.14   0.10
     8   6     0.09   0.08  -0.04    -0.05   0.08   0.06     0.10   0.08  -0.09
     9   6     0.05  -0.01  -0.02     0.13   0.21   0.05     0.01  -0.10  -0.10
    10   1    -0.12   0.09  -0.48    -0.29  -0.05   0.12    -0.08   0.07   0.08
    11   1     0.02  -0.02   0.35     0.24   0.14   0.07     0.03  -0.01  -0.21
    12   1    -0.09   0.00  -0.08    -0.06  -0.11   0.11    -0.03  -0.10  -0.21
    13   1     0.00   0.01  -0.32     0.10  -0.15   0.10    -0.04   0.10   0.06
    14   1    -0.07   0.07  -0.05    -0.04   0.12   0.09    -0.07   0.04   0.16
    15   6    -0.06   0.04  -0.05    -0.01   0.01  -0.00    -0.00   0.01   0.02
    16   1     0.21   0.13  -0.03    -0.26  -0.00   0.03     0.41   0.02  -0.10
    17   1     0.05   0.04   0.08     0.06  -0.03  -0.19    -0.01   0.06   0.22
    18   1     0.06   0.09   0.19     0.10   0.14  -0.08    -0.01   0.07   0.26
    19   1     0.03  -0.23   0.03     0.08   0.32   0.04     0.10  -0.45  -0.05
    20   1    -0.16   0.02  -0.06     0.16  -0.10   0.10     0.13  -0.22   0.20
    21   1    -0.05  -0.06   0.12    -0.03   0.06  -0.24    -0.02  -0.06  -0.13
    22   1    -0.18   0.08  -0.13     0.08  -0.03  -0.04    -0.04  -0.01  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    739.3819               763.2320               783.9892
 Red. masses --      2.6396                 1.5147                 2.5628
 Frc consts  --      0.8502                 0.5199                 0.9281
 IR Inten    --      9.8551                43.4738                 4.6059
 RamAct Fr= 1--      4.8425                 8.3499                16.7200
  Dep-P Fr= 1--      0.0616                 0.1035                 0.0611
  Dep-U Fr= 1--      0.1161                 0.1875                 0.1151
 Alpha2 Fr= 1--      0.0930                 0.1450                 0.3217
 Beta2  Fr= 1--      0.0937                 0.2609                 0.3207
 AlphaG Fr= 1--      0.0652                 0.0196                 0.0217
 Gamma2 Fr= 1--      0.1206                -0.9985                -0.8942
 Delta2 Fr= 1--      0.1512                -0.1327                -0.0832
 Raman1 Fr= 1--      19.370                 33.400                 66.880
 ROA1   Fr= 1--      16.415               -100.102                -88.506
 CID1   Fr= 1--       0.847                 -2.997                 -1.323
 Raman2 Fr= 1--       1.124                  3.131                  3.849
 ROA2   Fr= 1--       1.684                -22.902                -20.795
 CID2   Fr= 1--       1.498                 -7.314                 -5.403
 Raman3 Fr= 1--       2.248                  6.263                  7.697
 ROA3   Fr= 1--      16.415               -100.102                -88.506
 CID3   Fr= 1--       7.301                -15.984                -11.498
 RC180  Fr= 1--      -0.768                 -0.625                 -0.770
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.14     0.00   0.03  -0.03     0.03   0.05   0.00
     2   6     0.00   0.00   0.06    -0.03   0.02  -0.09    -0.06  -0.00   0.07
     3   6    -0.00  -0.14   0.02     0.01   0.08  -0.06     0.04   0.08   0.05
     4   6    -0.06  -0.01  -0.14     0.03  -0.00   0.10     0.03   0.04  -0.11
     5   6    -0.05  -0.02   0.16     0.02  -0.04  -0.01     0.03  -0.09   0.03
     6   6    -0.10   0.14  -0.08     0.03  -0.06  -0.04     0.04  -0.11  -0.03
     7   6     0.04   0.05   0.01    -0.03   0.03   0.04    -0.07   0.14   0.14
     8   6     0.06  -0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.06   0.03
     9   6     0.07  -0.03   0.04    -0.02  -0.04  -0.01     0.01  -0.11  -0.02
    10   1    -0.02   0.01   0.29     0.11  -0.15   0.55     0.11   0.01  -0.25
    11   1    -0.00  -0.20   0.40     0.05  -0.07   0.55    -0.07   0.12  -0.24
    12   1     0.00  -0.25   0.46     0.04   0.01   0.26     0.01   0.08   0.04
    13   1    -0.12   0.11   0.07     0.13  -0.14   0.38     0.13  -0.04  -0.27
    14   1     0.14   0.05   0.04    -0.12  -0.00   0.03     0.05   0.07   0.22
    15   6     0.01   0.00   0.01    -0.03   0.03  -0.03    -0.07   0.09  -0.05
    16   1    -0.06  -0.01  -0.01     0.07  -0.02  -0.01    -0.11  -0.18   0.01
    17   1     0.11   0.00  -0.13    -0.03  -0.02   0.06     0.03  -0.07  -0.07
    18   1    -0.06  -0.16  -0.21    -0.07  -0.02   0.03    -0.04  -0.17  -0.12
    19   1     0.18   0.28  -0.06     0.01  -0.07  -0.01     0.01   0.01  -0.04
    20   1     0.06  -0.07   0.07    -0.01  -0.02   0.01     0.22  -0.22   0.20
    21   1     0.01  -0.04  -0.03    -0.03   0.01  -0.05    -0.11   0.08  -0.45
    22   1    -0.01   0.00  -0.08    -0.04   0.02  -0.08    -0.01   0.02  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    787.9166               852.6370               879.7097
 Red. masses --      2.2720                 3.7913                 1.3434
 Frc consts  --      0.8310                 1.6239                 0.6125
 IR Inten    --      1.4639                 0.5249                 0.0134
 RamAct Fr= 1--      0.7422                 7.4431                 1.4861
  Dep-P Fr= 1--      0.5181                 0.1043                 0.7347
  Dep-U Fr= 1--      0.6825                 0.1889                 0.8471
 Alpha2 Fr= 1--      0.0034                 0.1289                 0.0004
 Beta2  Fr= 1--      0.0844                 0.2344                 0.2098
 AlphaG Fr= 1--     -0.0146                -0.0194                -0.0036
 Gamma2 Fr= 1--      1.4170                 0.0961                 0.1942
 Delta2 Fr= 1--      0.3881                 0.2268                 0.1008
 Raman1 Fr= 1--       2.969                 29.772                  5.944
 ROA1   Fr= 1--     148.450                 16.485                 21.870
 CID1   Fr= 1--      50.006                  0.554                  3.679
 Raman2 Fr= 1--       1.013                  2.812                  2.518
 ROA2   Fr= 1--      30.903                  0.492                  3.854
 CID2   Fr= 1--      30.503                  0.175                  1.531
 Raman3 Fr= 1--       2.026                  5.625                  5.035
 ROA3   Fr= 1--     148.450                 16.485                 21.870
 CID3   Fr= 1--      73.264                  2.931                  4.343
 RC180  Fr= 1--       0.365                 -0.622                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.06     0.15   0.14   0.02     0.01  -0.02   0.06
     2   6     0.07  -0.04   0.04    -0.19   0.06   0.03     0.00   0.01  -0.05
     3   6    -0.00   0.09   0.06     0.07  -0.14  -0.04     0.01  -0.01   0.09
     4   6    -0.02   0.08  -0.12     0.03  -0.11  -0.03    -0.01   0.02  -0.04
     5   6     0.04  -0.00   0.12     0.02  -0.07  -0.02     0.00  -0.01   0.02
     6   6     0.06  -0.03  -0.05    -0.04  -0.09  -0.02    -0.01   0.02  -0.10
     7   6    -0.07  -0.06  -0.03    -0.16  -0.06   0.01    -0.02   0.01  -0.01
     8   6    -0.03   0.06  -0.09     0.03   0.08  -0.06     0.02   0.01  -0.02
     9   6    -0.09  -0.00  -0.03     0.09   0.24   0.04    -0.01  -0.02   0.02
    10   1    -0.00  -0.06   0.03     0.19   0.09  -0.02    -0.03   0.08  -0.40
    11   1     0.09   0.07  -0.00    -0.24  -0.07  -0.01     0.04  -0.06   0.31
    12   1     0.12   0.08   0.24    -0.17  -0.19  -0.02    -0.04   0.13  -0.53
    13   1     0.02  -0.01  -0.20     0.15  -0.05  -0.01     0.06  -0.12   0.59
    14   1    -0.08  -0.15   0.03    -0.17  -0.13   0.05    -0.00  -0.04   0.03
    15   6     0.03  -0.07   0.09    -0.03  -0.04   0.04     0.00  -0.01   0.02
    16   1     0.44   0.11  -0.07     0.24   0.09  -0.06     0.04   0.05  -0.01
    17   1    -0.20   0.01   0.37     0.02  -0.21   0.07     0.01  -0.02   0.01
    18   1    -0.27   0.13   0.28     0.02   0.32   0.22    -0.11  -0.06  -0.05
    19   1     0.13  -0.27  -0.03     0.21   0.03   0.05     0.03   0.08  -0.01
    20   1     0.09  -0.05   0.09     0.12  -0.01   0.05     0.05  -0.04   0.06
    21   1     0.03   0.01  -0.01    -0.04   0.15  -0.23    -0.00   0.01  -0.05
    22   1     0.13  -0.10   0.16     0.19  -0.12   0.19     0.03  -0.02   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    908.7120               936.6976               962.1341
 Red. masses --      1.9451                 1.3796                 1.3811
 Frc consts  --      0.9463                 0.7132                 0.7533
 IR Inten    --      0.1868                 0.7735                 0.2647
 RamAct Fr= 1--      1.6096                 0.1631                 1.2838
  Dep-P Fr= 1--      0.7499                 0.5916                 0.3519
  Dep-U Fr= 1--      0.8571                 0.7434                 0.5206
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0112
 Beta2  Fr= 1--      0.2299                 0.0202                 0.1114
 AlphaG Fr= 1--     -0.0006                 0.0028                 0.0164
 Gamma2 Fr= 1--     -0.1257                 0.2371                -0.0282
 Delta2 Fr= 1--     -0.2519                -0.0274                 0.1813
 Raman1 Fr= 1--       6.438                  0.652                  5.135
 ROA1   Fr= 1--     -20.124                 21.889                  3.100
 CID1   Fr= 1--      -3.126                 33.553                  0.604
 Raman2 Fr= 1--       2.759                  0.242                  1.337
 ROA2   Fr= 1--      -1.001                  5.910                 -2.127
 CID2   Fr= 1--      -0.363                 24.374                 -1.591
 Raman3 Fr= 1--       5.518                  0.485                  2.674
 ROA3   Fr= 1--     -20.124                 21.889                  3.100
 CID3   Fr= 1--      -3.647                 45.135                  1.159
 RC180  Fr= 1--       0.714                  0.487                  0.041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.00  -0.01   0.06    -0.01   0.02  -0.08
     2   6     0.03  -0.00   0.02     0.00  -0.01   0.07     0.02  -0.02   0.07
     3   6    -0.01   0.04  -0.03    -0.01   0.02  -0.11     0.00  -0.01   0.05
     4   6    -0.03   0.03   0.03     0.00  -0.01   0.03     0.01  -0.00   0.01
     5   6    -0.02  -0.03  -0.05     0.00   0.00   0.01    -0.01   0.01  -0.03
     6   6     0.00  -0.00   0.01    -0.01   0.02  -0.09    -0.00   0.01  -0.03
     7   6    -0.07  -0.04  -0.00     0.01   0.01   0.00     0.02   0.01  -0.01
     8   6     0.21   0.08  -0.04    -0.04  -0.01  -0.02     0.02  -0.06  -0.05
     9   6    -0.06  -0.06   0.07     0.01   0.00   0.01    -0.05   0.05   0.06
    10   1     0.01  -0.01  -0.04    -0.04   0.08  -0.34     0.03  -0.10   0.54
    11   1     0.01   0.04  -0.17    -0.04   0.09  -0.40    -0.03   0.11  -0.49
    12   1     0.08   0.01   0.19     0.05  -0.13   0.55    -0.05   0.07  -0.35
    13   1     0.03   0.00  -0.00     0.06  -0.11   0.51     0.02  -0.05   0.26
    14   1    -0.31  -0.13   0.00    -0.03   0.00  -0.00     0.00  -0.13   0.08
    15   6    -0.03  -0.04   0.02     0.02   0.01  -0.01     0.02   0.03   0.01
    16   1    -0.16   0.16  -0.03     0.08   0.02  -0.00     0.09   0.03  -0.03
    17   1     0.32   0.12  -0.35    -0.07  -0.06   0.09     0.03  -0.22  -0.00
    18   1    -0.31  -0.19  -0.14    -0.01  -0.01  -0.01    -0.09   0.03   0.01
    19   1    -0.30   0.25   0.07     0.09   0.03  -0.02    -0.11   0.09   0.06
    20   1     0.04   0.07  -0.04    -0.05  -0.02   0.00     0.01  -0.12   0.10
    21   1    -0.02   0.14  -0.10     0.02  -0.08   0.10     0.01  -0.10   0.02
    22   1     0.17  -0.10   0.22    -0.08   0.04  -0.08    -0.10   0.05  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    963.4952               974.4968              1034.1675
 Red. masses --      1.6491                 2.0352                 1.7264
 Frc consts  --      0.9020                 1.1387                 1.0878
 IR Inten    --      0.5368                 0.6672                 2.2682
 RamAct Fr= 1--      2.3719                 4.3183                 8.9968
  Dep-P Fr= 1--      0.2563                 0.6999                 0.1606
  Dep-U Fr= 1--      0.4081                 0.8235                 0.2768
 Alpha2 Fr= 1--      0.0276                 0.0038                 0.1354
 Beta2  Fr= 1--      0.1613                 0.5927                 0.4150
 AlphaG Fr= 1--     -0.0738                -0.0106                 0.1840
 Gamma2 Fr= 1--      0.9899                -1.1234                -1.0108
 Delta2 Fr= 1--     -0.1052                -0.9406                -0.5887
 Raman1 Fr= 1--       9.487                 17.273                 35.987
 ROA1   Fr= 1--      91.659               -137.941               -115.872
 CID1   Fr= 1--       9.661                 -7.986                 -3.220
 Raman2 Fr= 1--       1.936                  7.112                  4.980
 ROA2   Fr= 1--      24.599                -19.436                -19.549
 CID2   Fr= 1--      12.708                 -2.733                 -3.925
 Raman3 Fr= 1--       3.871                 14.224                  9.960
 ROA3   Fr= 1--      91.659               -137.941               -115.872
 CID3   Fr= 1--      23.676                 -9.698                -11.634
 RC180  Fr= 1--      -0.184                  0.647                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05     0.03   0.02  -0.01     0.03   0.04   0.01
     2   6     0.02   0.01  -0.06    -0.03   0.01  -0.00     0.00   0.02   0.00
     3   6    -0.01   0.00  -0.03     0.01   0.00   0.00     0.00  -0.03   0.00
     4   6     0.01  -0.00  -0.00    -0.04   0.01   0.02    -0.07   0.05  -0.03
     5   6    -0.01   0.01  -0.02     0.00  -0.00  -0.07    -0.01  -0.02   0.04
     6   6     0.00  -0.00   0.05     0.02  -0.04   0.03     0.02  -0.08  -0.03
     7   6     0.03   0.00  -0.01    -0.08   0.09  -0.10    -0.04   0.13   0.01
     8   6     0.04  -0.11  -0.08    -0.10   0.05  -0.03     0.05  -0.08   0.02
     9   6    -0.08   0.09   0.09     0.09  -0.11   0.05    -0.05   0.03  -0.03
    10   1    -0.07   0.09  -0.31     0.07  -0.02   0.03    -0.01   0.09  -0.01
    11   1     0.06  -0.07   0.37    -0.02  -0.00   0.03     0.02   0.06   0.04
    12   1     0.00  -0.05   0.21     0.02   0.02  -0.03     0.01  -0.02  -0.03
    13   1    -0.05   0.07  -0.31     0.03   0.01  -0.17     0.05  -0.08  -0.02
    14   1     0.03  -0.21   0.13    -0.18   0.05  -0.10    -0.26   0.38  -0.21
    15   6     0.02   0.06   0.00     0.09  -0.03   0.12     0.09  -0.05  -0.00
    16   1     0.15   0.02  -0.05     0.05   0.48   0.07    -0.06  -0.29  -0.03
    17   1     0.05  -0.36  -0.00    -0.12  -0.23   0.13     0.13  -0.20  -0.17
    18   1    -0.17   0.06   0.04     0.11  -0.30  -0.35    -0.09   0.12   0.15
    19   1    -0.15   0.14   0.10     0.04   0.30  -0.02    -0.10  -0.14   0.02
    20   1     0.03  -0.18   0.16     0.01  -0.15   0.18    -0.22   0.16  -0.20
    21   1     0.00  -0.16   0.01     0.08  -0.20   0.26     0.13  -0.11   0.47
    22   1    -0.15   0.08  -0.33    -0.08   0.01  -0.07    -0.11   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1050.7923              1089.0788              1106.4114
 Red. masses --      2.2062                 1.8019                 1.6694
 Frc consts  --      1.4353                 1.2592                 1.2041
 IR Inten    --      3.2533                 3.2263                 0.9320
 RamAct Fr= 1--     38.1808                 6.2725                 0.3237
  Dep-P Fr= 1--      0.0408                 0.3619                 0.3892
  Dep-U Fr= 1--      0.0783                 0.5315                 0.5603
 Alpha2 Fr= 1--      0.7709                 0.0530                 0.0025
 Beta2  Fr= 1--      0.4984                 0.5556                 0.0302
 AlphaG Fr= 1--      0.0107                -0.0206                 0.0021
 Gamma2 Fr= 1--      0.5741                -0.2528                -0.5521
 Delta2 Fr= 1--      0.2588                 1.5790                -0.4070
 Raman1 Fr= 1--     152.723                 25.090                  1.295
 ROA1   Fr= 1--      63.397                 26.260                -66.021
 CID1   Fr= 1--       0.415                  1.047                -50.989
 Raman2 Fr= 1--       5.981                  6.667                  0.363
 ROA2   Fr= 1--      11.709                -18.699                 -9.994
 CID2   Fr= 1--       1.958                 -2.805                -27.551
 Raman3 Fr= 1--      11.961                 13.334                  0.725
 ROA3   Fr= 1--      63.397                 26.260                -66.021
 CID3   Fr= 1--       5.300                  1.969                -91.006
 RC180  Fr= 1--      -0.843                  0.063                  0.121
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.16  -0.02     0.02   0.02  -0.00     0.01   0.03   0.01
     2   6    -0.16   0.09   0.04    -0.02   0.01   0.00    -0.03   0.03   0.01
     3   6     0.11  -0.07  -0.02     0.01  -0.04   0.01     0.03  -0.07  -0.02
     4   6     0.02   0.02  -0.00    -0.04   0.04  -0.05    -0.05   0.05  -0.00
     5   6     0.03  -0.01  -0.01     0.02   0.03  -0.04     0.02   0.04   0.08
     6   6     0.07   0.11   0.02     0.01  -0.03   0.01     0.02  -0.07  -0.04
     7   6    -0.01   0.02   0.00     0.01  -0.10   0.15    -0.02  -0.07  -0.06
     8   6    -0.01  -0.02  -0.00    -0.01   0.05  -0.03     0.04   0.01   0.07
     9   6    -0.02   0.00   0.00     0.02  -0.03   0.06    -0.03  -0.00  -0.09
    10   1     0.01  -0.30  -0.06     0.00   0.04   0.01    -0.08   0.13   0.02
    11   1    -0.12   0.29   0.08    -0.02   0.02   0.01     0.02   0.17   0.05
    12   1     0.57   0.04  -0.06     0.03  -0.00  -0.10     0.17  -0.05   0.01
    13   1     0.53   0.23  -0.01    -0.02  -0.02  -0.09    -0.01  -0.10   0.04
    14   1    -0.06   0.04  -0.02    -0.31  -0.23   0.15    -0.15  -0.34   0.08
    15   6     0.00  -0.01   0.00     0.05   0.04  -0.12     0.03   0.06   0.03
    16   1     0.01  -0.03  -0.01     0.13  -0.06  -0.05    -0.23   0.22   0.11
    17   1    -0.01  -0.05   0.00    -0.14   0.36   0.19     0.07   0.27  -0.10
    18   1    -0.08   0.00   0.02    -0.21  -0.12  -0.07     0.37   0.09   0.02
    19   1    -0.02  -0.01   0.01     0.29   0.17  -0.05    -0.33  -0.19   0.03
    20   1    -0.02   0.02  -0.02    -0.28   0.10  -0.22     0.02  -0.19   0.18
    21   1     0.01   0.01   0.03     0.07  -0.14   0.30     0.01  -0.17   0.03
    22   1     0.01  -0.00   0.04    -0.24   0.16  -0.14    -0.12   0.07  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1119.8222              1182.2712              1183.3276
 Red. masses --      1.8852                 1.1352                 1.9750
 Frc consts  --      1.3929                 0.9349                 1.6294
 IR Inten    --      1.6742                 0.1317                 1.1567
 RamAct Fr= 1--      1.3735                 5.2521                 1.3708
  Dep-P Fr= 1--      0.3920                 0.3575                 0.3737
  Dep-U Fr= 1--      0.5632                 0.5267                 0.5441
 Alpha2 Fr= 1--      0.0105                 0.0450                 0.0111
 Beta2  Fr= 1--      0.1289                 0.4610                 0.1243
 AlphaG Fr= 1--      0.0128                -0.0387                -0.0113
 Gamma2 Fr= 1--     -0.3494                -0.4034                 0.6700
 Delta2 Fr= 1--      0.0398                -0.0290                 0.2975
 Raman1 Fr= 1--       5.494                 21.008                  5.483
 ROA1   Fr= 1--     -32.267                -39.656                 73.840
 CID1   Fr= 1--      -5.873                 -1.888                 13.467
 Raman2 Fr= 1--       1.547                  5.532                  1.492
 ROA2   Fr= 1--      -8.703                 -9.450                 13.700
 CID2   Fr= 1--      -5.626                 -1.708                  9.184
 Raman3 Fr= 1--       3.094                 11.065                  2.984
 ROA3   Fr= 1--     -32.267                -39.656                 73.840
 CID3   Fr= 1--     -10.428                 -3.584                 24.749
 RC180  Fr= 1--       0.126                  0.053                  0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.09  -0.01   0.01
     2   6    -0.00  -0.05  -0.01     0.01   0.06   0.01     0.08   0.01  -0.01
     3   6    -0.06   0.11   0.03    -0.02  -0.02  -0.00     0.07   0.04   0.01
     4   6     0.00  -0.06  -0.04     0.03  -0.01  -0.01     0.13  -0.05  -0.05
     5   6     0.00  -0.09   0.02     0.01   0.00   0.01    -0.09  -0.12   0.01
     6   6     0.01   0.12   0.02    -0.03   0.01   0.00    -0.07   0.01   0.01
     7   6    -0.08  -0.05   0.02    -0.01   0.01   0.01    -0.04  -0.01   0.08
     8   6     0.01   0.05   0.06    -0.00   0.00  -0.00    -0.02   0.07  -0.01
     9   6     0.04   0.04  -0.07    -0.00  -0.00  -0.01     0.05   0.02  -0.02
    10   1     0.29  -0.31  -0.11     0.37  -0.41  -0.13    -0.37   0.28   0.09
    11   1    -0.11  -0.41  -0.06     0.17   0.59   0.11     0.15   0.23   0.04
    12   1    -0.25   0.07   0.03    -0.33  -0.09   0.01     0.37   0.12  -0.03
    13   1     0.29   0.19   0.03    -0.37  -0.08   0.03    -0.28  -0.05   0.03
    14   1    -0.15  -0.08   0.02    -0.08  -0.02   0.01    -0.21  -0.06   0.07
    15   6     0.06   0.04  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.04
    16   1    -0.13   0.07   0.06    -0.01   0.03   0.01     0.01   0.20   0.02
    17   1     0.11  -0.15  -0.13     0.00  -0.04  -0.00     0.06  -0.39  -0.05
    18   1     0.01   0.11   0.10     0.01   0.00   0.01     0.28   0.04  -0.04
    19   1    -0.13  -0.13   0.01    -0.05  -0.01   0.01    -0.11  -0.01   0.02
    20   1    -0.12  -0.07   0.02    -0.01   0.01  -0.01    -0.10   0.07  -0.11
    21   1     0.06  -0.19   0.21     0.00   0.00   0.01     0.02   0.01   0.08
    22   1    -0.19   0.12  -0.20    -0.01   0.00   0.00    -0.05   0.03   0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1191.2683              1218.0960              1231.3432
 Red. masses --      1.3161                 1.4674                 2.0955
 Frc consts  --      1.1004                 1.2828                 1.8719
 IR Inten    --      1.0313                 0.3831                 1.0687
 RamAct Fr= 1--      2.7121                 2.4881                35.1496
  Dep-P Fr= 1--      0.7413                 0.4589                 0.1014
  Dep-U Fr= 1--      0.8514                 0.6291                 0.1841
 Alpha2 Fr= 1--      0.0004                 0.0147                 0.6133
 Beta2  Fr= 1--      0.3849                 0.2609                 1.0788
 AlphaG Fr= 1--      0.0034                -0.0707                -0.0967
 Gamma2 Fr= 1--      0.4861                 0.5602                 0.6673
 Delta2 Fr= 1--     -0.0106                -1.2667                 0.7519
 Raman1 Fr= 1--      10.848                  9.952                140.598
 ROA1   Fr= 1--      46.330                 13.243                 88.121
 CID1   Fr= 1--       4.271                  1.331                  0.627
 Raman2 Fr= 1--       4.618                  3.131                 12.945
 ROA2   Fr= 1--      11.752                 23.578                  9.999
 CID2   Fr= 1--       2.545                  7.531                  0.772
 Raman3 Fr= 1--       9.237                  6.261                 25.890
 ROA3   Fr= 1--      46.330                 13.243                 88.121
 CID3   Fr= 1--       5.016                  2.115                  3.404
 RC180  Fr= 1--       0.703                  0.258                 -0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.03   0.02   0.00    -0.07   0.00   0.01
     2   6     0.00  -0.02  -0.00    -0.04  -0.00   0.00    -0.07  -0.04  -0.00
     3   6    -0.02  -0.01   0.00    -0.01  -0.02  -0.00     0.04  -0.06  -0.01
     4   6     0.03   0.01  -0.02    -0.08   0.01   0.01     0.17  -0.01  -0.04
     5   6    -0.02  -0.00   0.04     0.06   0.06   0.04     0.15   0.11   0.02
     6   6     0.03   0.01  -0.01     0.03  -0.01  -0.01     0.03   0.06   0.01
     7   6     0.04   0.06   0.05     0.02  -0.04   0.09    -0.03   0.04   0.01
     8   6    -0.00  -0.04  -0.08    -0.03   0.04  -0.06    -0.02  -0.01   0.02
     9   6    -0.05   0.02   0.04     0.02  -0.04  -0.03    -0.02  -0.06  -0.04
    10   1     0.05  -0.06  -0.03     0.09  -0.04  -0.02    -0.24   0.17   0.06
    11   1    -0.02  -0.11  -0.01    -0.06  -0.06  -0.00    -0.16  -0.29  -0.04
    12   1    -0.28  -0.07   0.01     0.08   0.01  -0.01    -0.38  -0.17  -0.00
    13   1     0.29   0.07  -0.01    -0.07  -0.04   0.02    -0.33  -0.02   0.04
    14   1    -0.27  -0.09   0.07     0.52   0.10   0.13    -0.46  -0.05  -0.04
    15   6    -0.02  -0.04  -0.02    -0.01  -0.02  -0.06    -0.00  -0.01   0.01
    16   1     0.11   0.14  -0.03     0.05   0.33   0.01    -0.09   0.09   0.05
    17   1    -0.11   0.19   0.13     0.02  -0.42  -0.00    -0.01  -0.08   0.00
    18   1     0.65  -0.01  -0.18    -0.04  -0.03  -0.00    -0.34  -0.05   0.08
    19   1    -0.25   0.05   0.09    -0.51  -0.03   0.11    -0.22  -0.08   0.02
    20   1    -0.01   0.11  -0.11    -0.08   0.11  -0.16     0.00   0.01   0.00
    21   1    -0.00   0.12  -0.02     0.01   0.05   0.05    -0.00   0.04  -0.02
    22   1     0.05  -0.04   0.13    -0.01   0.00   0.10    -0.01  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1286.8336              1301.5566              1325.3364
 Red. masses --      1.3434                 2.3558                 1.5021
 Frc consts  --      1.3107                 2.3514                 1.5546
 IR Inten    --      1.4830                 0.2740                 0.4215
 RamAct Fr= 1--      3.9045                 9.1727                 2.0290
  Dep-P Fr= 1--      0.2174                 0.1456                 0.7025
  Dep-U Fr= 1--      0.3572                 0.2542                 0.8252
 Alpha2 Fr= 1--      0.0506                 0.1434                 0.0017
 Beta2  Fr= 1--      0.2324                 0.3886                 0.2791
 AlphaG Fr= 1--     -0.0799                 0.0172                -0.0044
 Gamma2 Fr= 1--      2.5072                -1.3717                 0.4349
 Delta2 Fr= 1--     -0.0707                 0.2915                 0.7536
 Raman1 Fr= 1--      15.618                 36.691                  8.116
 ROA1   Fr= 1--     238.429               -122.357                 65.869
 CID1   Fr= 1--      15.266                 -3.335                  8.116
 Raman2 Fr= 1--       2.789                  4.664                  3.349
 ROA2   Fr= 1--      60.738                -35.254                  4.410
 CID2   Fr= 1--      21.775                 -7.559                  1.317
 Raman3 Fr= 1--       5.579                  9.327                  6.698
 ROA3   Fr= 1--     238.429               -122.357                 65.869
 CID3   Fr= 1--      42.740                -13.118                  9.835
 RC180  Fr= 1--      -0.286                 -0.492                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.01    -0.07   0.05   0.02    -0.02   0.04   0.01
     2   6     0.02   0.01  -0.00    -0.03  -0.09  -0.02    -0.02   0.01   0.00
     3   6    -0.02  -0.03  -0.00     0.10   0.01  -0.01    -0.02   0.02   0.01
     4   6    -0.01   0.09   0.01     0.04  -0.09  -0.01    -0.05  -0.10  -0.01
     5   6    -0.05   0.01  -0.01    -0.07   0.15   0.02     0.06  -0.02  -0.02
     6   6    -0.02  -0.04  -0.00     0.09   0.01  -0.00     0.04   0.04   0.00
     7   6     0.09   0.02   0.01    -0.12  -0.03   0.01     0.00   0.08   0.01
     8   6    -0.02   0.00   0.05     0.07   0.06   0.01     0.03  -0.09   0.01
     9   6    -0.02  -0.00  -0.05    -0.15  -0.05   0.02    -0.06   0.03  -0.01
    10   1    -0.05   0.05   0.02     0.02  -0.04  -0.01     0.18  -0.16  -0.05
    11   1     0.03   0.05   0.00     0.06   0.18   0.03    -0.07  -0.18  -0.03
    12   1    -0.22  -0.08   0.00    -0.27  -0.09   0.01     0.40   0.12  -0.01
    13   1     0.33   0.05  -0.03     0.10   0.01  -0.01    -0.43  -0.08   0.02
    14   1    -0.13  -0.29   0.17     0.40   0.14   0.04    -0.02  -0.17   0.17
    15   6    -0.03  -0.02  -0.02     0.04   0.00  -0.01     0.00  -0.03  -0.01
    16   1    -0.18   0.41   0.15    -0.04  -0.01  -0.02    -0.16   0.46   0.13
    17   1     0.10  -0.40  -0.11     0.17  -0.21  -0.14    -0.01   0.18   0.01
    18   1    -0.18   0.04   0.07     0.36  -0.06  -0.12     0.05   0.06   0.02
    19   1     0.40  -0.10  -0.14     0.51   0.01  -0.17     0.32  -0.06  -0.09
    20   1     0.03   0.08  -0.07    -0.11  -0.03  -0.02    -0.01   0.07  -0.08
    21   1    -0.01   0.08  -0.02     0.03  -0.07   0.08     0.02   0.08   0.04
    22   1     0.06  -0.04   0.06    -0.09   0.06   0.00    -0.01  -0.01   0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1348.3103              1353.5243              1362.6206
 Red. masses --      1.4479                 1.3919                 3.2013
 Frc consts  --      1.5508                 1.5024                 3.5020
 IR Inten    --      0.9234                 2.1239                 4.1432
 RamAct Fr= 1--      0.5997                 7.9262                 9.2667
  Dep-P Fr= 1--      0.3794                 0.6024                 0.0931
  Dep-U Fr= 1--      0.5501                 0.7518                 0.1703
 Alpha2 Fr= 1--      0.0048                 0.0216                 0.1650
 Beta2  Fr= 1--      0.0550                 0.9932                 0.2630
 AlphaG Fr= 1--      0.0126                -0.0549                -0.0480
 Gamma2 Fr= 1--     -0.3842                -1.4578                -0.8723
 Delta2 Fr= 1--     -0.1974                 0.3090                -0.5619
 Raman1 Fr= 1--       2.399                 31.705                 37.067
 ROA1   Fr= 1--     -43.201               -130.057               -101.725
 CID1   Fr= 1--     -18.010                 -4.102                 -2.744
 Raman2 Fr= 1--       0.660                 11.918                  3.156
 ROA2   Fr= 1--      -7.642                -37.458                -16.441
 CID2   Fr= 1--     -11.583                 -3.143                 -5.209
 Raman3 Fr= 1--       1.320                 23.837                  6.313
 ROA3   Fr= 1--     -43.201               -130.057               -101.725
 CID3   Fr= 1--     -32.739                 -5.456                -16.115
 RC180  Fr= 1--       0.100                  0.504                 -0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.02  -0.01  -0.00     0.08  -0.14  -0.04
     2   6     0.01  -0.03  -0.01    -0.00   0.03   0.01     0.02   0.15   0.03
     3   6     0.05   0.02  -0.00    -0.03  -0.01   0.00    -0.12  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.01   0.01  -0.01     0.13   0.14   0.04
     5   6    -0.06   0.00   0.00     0.03  -0.01  -0.00     0.16  -0.07  -0.03
     6   6    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.13  -0.02   0.01
     7   6    -0.07  -0.02   0.03     0.06  -0.11   0.08    -0.16  -0.00  -0.01
     8   6     0.03  -0.13  -0.03     0.01   0.00  -0.03     0.04  -0.01  -0.01
     9   6     0.07   0.03  -0.02    -0.06  -0.00   0.00    -0.12  -0.01   0.02
    10   1    -0.10   0.09   0.03     0.04  -0.03  -0.01    -0.25   0.20   0.07
    11   1     0.08   0.18   0.03    -0.04  -0.09  -0.02    -0.11  -0.24  -0.04
    12   1    -0.20  -0.04   0.01     0.10   0.02  -0.02    -0.03  -0.02   0.02
    13   1     0.22   0.06  -0.01    -0.06  -0.02  -0.00     0.01   0.02   0.01
    14   1     0.22   0.29  -0.10    -0.30   0.59  -0.50     0.57   0.04   0.16
    15   6     0.02  -0.00   0.01    -0.03   0.06   0.03     0.05  -0.01  -0.01
    16   1    -0.11   0.55   0.12     0.01   0.28   0.04    -0.08   0.06  -0.00
    17   1    -0.10   0.44   0.09     0.05  -0.15  -0.05     0.00   0.09   0.04
    18   1    -0.29   0.06   0.11     0.17   0.01  -0.03     0.33  -0.02  -0.10
    19   1    -0.08   0.01   0.03     0.19  -0.02  -0.06     0.27  -0.05  -0.07
    20   1    -0.08   0.02  -0.03     0.07  -0.08   0.13    -0.17  -0.02  -0.05
    21   1     0.01   0.02  -0.06    -0.06  -0.07  -0.13     0.04  -0.04   0.05
    22   1    -0.09   0.04  -0.05     0.06  -0.01  -0.13    -0.11   0.07   0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1409.0603              1484.0609              1492.4870
 Red. masses --      1.2192                 1.1113                 1.3594
 Frc consts  --      1.4262                 1.4421                 1.7841
 IR Inten    --      4.2781                 1.1644                 8.7316
 RamAct Fr= 1--      0.6596                11.8129                 3.0814
  Dep-P Fr= 1--      0.7236                 0.5590                 0.5510
  Dep-U Fr= 1--      0.8396                 0.7172                 0.7105
 Alpha2 Fr= 1--      0.0003                 0.0429                 0.0117
 Beta2  Fr= 1--      0.0923                 1.4120                 0.3649
 AlphaG Fr= 1--     -0.0029                -0.0205                -0.0173
 Gamma2 Fr= 1--      0.0733                -0.2250                -2.2326
 Delta2 Fr= 1--      0.1444                 0.8522                 2.3395
 Raman1 Fr= 1--       2.638                 47.251                 12.326
 ROA1   Fr= 1--      11.656                  5.671               -139.462
 CID1   Fr= 1--       4.418                  0.120                -11.315
 Raman2 Fr= 1--       1.108                 16.944                  4.379
 ROA2   Fr= 1--       0.603                -12.218                -72.297
 CID2   Fr= 1--       0.544                 -0.721                -16.511
 Raman3 Fr= 1--       2.215                 33.887                  8.757
 ROA3   Fr= 1--      11.656                  5.671               -139.462
 CID3   Fr= 1--       5.262                  0.167                -15.925
 RC180  Fr= 1--       0.679                  0.434                  0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.01   0.01   0.00     0.08  -0.04  -0.02
     2   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.05  -0.06  -0.01
     3   6     0.01   0.00   0.00    -0.02  -0.01   0.00    -0.00   0.05   0.01
     4   6     0.01  -0.00  -0.00     0.02  -0.01  -0.00    -0.04  -0.04  -0.01
     5   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.01  -0.01
     6   6    -0.01   0.00   0.00    -0.01  -0.02  -0.00    -0.02   0.04   0.01
     7   6    -0.01   0.00   0.01    -0.00   0.01  -0.00    -0.01  -0.00   0.00
     8   6     0.01  -0.02  -0.01     0.04   0.01  -0.02    -0.00  -0.00   0.00
     9   6     0.00   0.01   0.00    -0.00  -0.06  -0.03    -0.02  -0.02  -0.00
    10   1    -0.03   0.02   0.01     0.06  -0.05  -0.02    -0.20   0.25   0.07
    11   1     0.01   0.02   0.00     0.00  -0.04  -0.01     0.05   0.29   0.06
    12   1    -0.05  -0.01  -0.00     0.08   0.01  -0.01    -0.05   0.05   0.02
    13   1     0.01   0.01   0.00     0.07   0.00  -0.00     0.02   0.06   0.01
    14   1     0.02   0.01   0.01    -0.01  -0.01   0.01    -0.01   0.01  -0.01
    15   6    -0.05   0.06  -0.11    -0.00   0.01   0.01    -0.04  -0.03   0.00
    16   1    -0.05   0.06   0.01    -0.38  -0.07  -0.04     0.04  -0.00   0.00
    17   1    -0.03   0.04   0.05    -0.11  -0.10   0.36     0.01   0.02  -0.04
    18   1    -0.02  -0.01  -0.02     0.10   0.23   0.48     0.09   0.08   0.15
    19   1    -0.00  -0.03   0.01    -0.03   0.53  -0.11     0.02   0.17  -0.04
    20   1     0.28  -0.40   0.28    -0.08   0.05  -0.04     0.52   0.27  -0.07
    21   1    -0.00  -0.25   0.51    -0.03  -0.18  -0.05     0.04   0.22   0.38
    22   1     0.34  -0.04   0.45     0.15  -0.06  -0.01    -0.02  -0.07  -0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1496.6105              1500.8527              1503.6563
 Red. masses --      1.2529                 1.2414                 1.1328
 Frc consts  --      1.6534                 1.6475                 1.5091
 IR Inten    --      3.5788                 5.7392                 1.6650
 RamAct Fr= 1--      8.7586                 2.1877                 5.5854
  Dep-P Fr= 1--      0.6906                 0.4794                 0.3449
  Dep-U Fr= 1--      0.8170                 0.6481                 0.5129
 Alpha2 Fr= 1--      0.0091                 0.0119                 0.0498
 Beta2  Fr= 1--      1.1926                 0.2363                 0.4775
 AlphaG Fr= 1--      0.0175                -0.0207                -0.0488
 Gamma2 Fr= 1--      0.3381                 1.7084                 1.0797
 Delta2 Fr= 1--     -0.3916                 0.0403                -3.5095
 Raman1 Fr= 1--      35.034                  8.751                 22.341
 ROA1   Fr= 1--      19.931                165.296                 -8.648
 CID1   Fr= 1--       0.569                 18.890                 -0.387
 Raman2 Fr= 1--      14.312                  2.836                  5.730
 ROA2   Fr= 1--      11.248                 40.679                 53.990
 CID2   Fr= 1--       0.786                 14.346                  9.422
 Raman3 Fr= 1--      28.623                  5.671                 11.460
 ROA3   Fr= 1--      19.931                165.296                 -8.648
 CID3   Fr= 1--       0.696                 29.147                 -0.755
 RC180  Fr= 1--       0.634                  0.296                  0.026
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.01    -0.06   0.01   0.01     0.03  -0.02  -0.01
     2   6     0.05   0.06   0.01     0.03   0.06   0.01    -0.02  -0.02  -0.00
     3   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     4   6     0.05   0.02   0.00     0.03   0.04   0.01    -0.02  -0.01  -0.00
     5   6    -0.04   0.02   0.01    -0.05  -0.01   0.00     0.03  -0.00  -0.01
     6   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     7   6    -0.01  -0.02  -0.00    -0.04  -0.00   0.01     0.01   0.02   0.00
     8   6    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.06  -0.02   0.03
     9   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.01  -0.04  -0.01
    10   1     0.15  -0.19  -0.06     0.09  -0.16  -0.04    -0.07   0.09   0.03
    11   1    -0.03  -0.23  -0.04    -0.06  -0.25  -0.05     0.01   0.09   0.02
    12   1     0.08  -0.03  -0.01    -0.05  -0.05  -0.01    -0.02   0.02   0.00
    13   1     0.03  -0.04  -0.01    -0.08  -0.06  -0.01    -0.01   0.02   0.01
    14   1     0.02   0.04  -0.04     0.10  -0.00   0.05    -0.02  -0.04   0.04
    15   6    -0.00  -0.03  -0.03    -0.03   0.01   0.02     0.01   0.02  -0.01
    16   1     0.18   0.03   0.02     0.23   0.06   0.03     0.50   0.10   0.05
    17   1     0.05   0.05  -0.17     0.06   0.09  -0.21     0.13   0.13  -0.48
    18   1     0.02   0.09   0.22    -0.01   0.00   0.01     0.09   0.14   0.30
    19   1    -0.02   0.24  -0.05     0.00   0.01   0.00    -0.00   0.33  -0.07
    20   1     0.33  -0.15   0.14     0.18   0.38  -0.19    -0.27  -0.12   0.02
    21   1     0.08   0.52   0.22    -0.03  -0.34   0.21    -0.03  -0.17  -0.18
    22   1    -0.40   0.17   0.04     0.40  -0.24  -0.37     0.08   0.01   0.20
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1517.2297              1628.6253              1650.3698
 Red. masses --      2.3418                 6.1958                 6.3413
 Frc consts  --      3.1762                 9.6826                10.1764
 IR Inten    --     17.5775                 0.8507                 0.8250
 RamAct Fr= 1--      1.6925                13.1463                23.2154
  Dep-P Fr= 1--      0.5453                 0.6468                 0.7435
  Dep-U Fr= 1--      0.7057                 0.7855                 0.8529
 Alpha2 Fr= 1--      0.0066                 0.0244                 0.0026
 Beta2  Fr= 1--      0.1991                 1.7211                 3.2999
 AlphaG Fr= 1--     -0.0308                -0.0655                -0.0025
 Gamma2 Fr= 1--     -2.0738                 0.8197                -0.8775
 Delta2 Fr= 1--      0.3821                -1.1848                 1.2718
 Raman1 Fr= 1--       6.770                 52.585                 92.862
 ROA1   Fr= 1--    -186.860                 40.780                -43.541
 CID1   Fr= 1--     -27.601                  0.776                 -0.469
 Raman2 Fr= 1--       2.389                 20.653                 39.599
 ROA2   Fr= 1--     -52.829                 29.151                -31.234
 CID2   Fr= 1--     -22.114                  1.411                 -0.789
 Raman3 Fr= 1--       4.778                 41.307                 79.198
 ROA3   Fr= 1--    -186.860                 40.780                -43.541
 CID3   Fr= 1--     -39.109                  0.987                 -0.550
 RC180  Fr= 1--       0.411                  0.571                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.15  -0.29  -0.08     0.19  -0.02  -0.02
     2   6    -0.06   0.05   0.02     0.00   0.32   0.07    -0.16  -0.11  -0.01
     3   6     0.16   0.04  -0.01    -0.00   0.16   0.03    -0.34  -0.09   0.01
     4   6    -0.11   0.11   0.04    -0.03  -0.30  -0.06     0.25   0.14   0.01
     5   6    -0.05  -0.16  -0.03    -0.17   0.25   0.07    -0.28  -0.00   0.03
     6   6     0.16   0.04  -0.01     0.08  -0.14  -0.04     0.34   0.08  -0.02
     7   6     0.03  -0.03  -0.01     0.02   0.03   0.00    -0.04  -0.02   0.00
     8   6     0.01   0.00  -0.01     0.02   0.00   0.00     0.00  -0.01  -0.00
     9   6     0.00   0.01  -0.00     0.03  -0.01  -0.01     0.04   0.00  -0.00
    10   1    -0.21   0.10   0.04    -0.36   0.23   0.09    -0.02   0.21   0.05
    11   1    -0.14  -0.19  -0.03    -0.22  -0.37  -0.06    -0.07   0.20   0.05
    12   1    -0.52  -0.12   0.03    -0.12   0.15   0.04     0.44   0.09  -0.02
    13   1    -0.51  -0.13   0.02    -0.05  -0.19  -0.04    -0.43  -0.12   0.02
    14   1     0.10   0.02  -0.02    -0.16  -0.02  -0.01     0.07   0.03  -0.01
    15   6     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
    16   1    -0.13  -0.02  -0.02    -0.02  -0.01   0.00    -0.01   0.03   0.01
    17   1    -0.04  -0.05   0.13     0.02   0.00  -0.00    -0.01   0.03   0.01
    18   1     0.14   0.11   0.14    -0.16  -0.06  -0.06    -0.07   0.00   0.02
    19   1     0.06   0.18  -0.04    -0.06  -0.08   0.03    -0.01   0.02  -0.00
    20   1    -0.03  -0.09   0.05    -0.01  -0.01   0.01     0.04  -0.00   0.00
    21   1     0.02   0.12  -0.05    -0.01  -0.00  -0.02     0.00  -0.01   0.06
    22   1    -0.13   0.07   0.07     0.01  -0.00   0.03     0.01  -0.00  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3017.7845              3026.5037              3031.6622
 Red. masses --      1.0695                 1.0359                 1.0798
 Frc consts  --      5.7387                 5.5903                 5.8471
 IR Inten    --     26.6820                31.5739                 7.1691
 RamAct Fr= 1--    125.6151               231.4270                63.8309
  Dep-P Fr= 1--      0.2124                 0.0167                 0.6051
  Dep-U Fr= 1--      0.3504                 0.0329                 0.7540
 Alpha2 Fr= 1--      1.6503                 4.9452                 0.1707
 Beta2  Fr= 1--      7.3362                 1.2704                 8.0212
 AlphaG Fr= 1--     -0.6157                 0.0589                -0.5155
 Gamma2 Fr= 1--     -3.9188                -2.4066                -4.4331
 Delta2 Fr= 1--     -7.2695                 0.2268                -3.7705
 Raman1 Fr= 1--     502.460                925.708                255.324
 ROA1   Fr= 1--    -608.825               -223.771               -546.231
 CID1   Fr= 1--      -1.212                 -0.242                 -2.139
 Raman2 Fr= 1--      88.034                 15.245                 96.255
 ROA2   Fr= 1--     -35.894                -59.572                -76.230
 CID2   Fr= 1--      -0.408                 -3.908                 -0.792
 Raman3 Fr= 1--     176.069                 30.490                192.509
 ROA3   Fr= 1--    -608.825               -223.771               -546.231
 CID3   Fr= 1--      -3.458                 -7.339                 -2.837
 RC180  Fr= 1--      -0.299                 -0.934                  0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.02  -0.04  -0.06
     8   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.01  -0.01   0.02
     9   6    -0.02  -0.03  -0.06    -0.00  -0.01  -0.01     0.00   0.01   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    13   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.02   0.05   0.08     0.02  -0.05  -0.08    -0.19   0.48   0.71
    15   6     0.00  -0.00   0.01    -0.02   0.01  -0.04    -0.01   0.01   0.00
    16   1     0.00   0.02  -0.10     0.00  -0.01   0.06    -0.00   0.08  -0.36
    17   1    -0.06  -0.01  -0.02    -0.07  -0.01  -0.03     0.15   0.02   0.07
    18   1    -0.03   0.20  -0.12    -0.01   0.05  -0.03     0.01  -0.08   0.04
    19   1     0.24   0.15   0.90     0.04   0.02   0.15    -0.02  -0.01  -0.08
    20   1     0.02  -0.07  -0.10    -0.11   0.33   0.49     0.01  -0.02  -0.03
    21   1    -0.08   0.01   0.01     0.58  -0.06  -0.07     0.16  -0.01  -0.02
    22   1     0.03   0.07  -0.01    -0.20  -0.45   0.06    -0.06  -0.12   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3048.9135              3071.0655              3089.6775
 Red. masses --      1.0680                 1.0892                 1.1042
 Frc consts  --      5.8492                 6.0525                 6.2104
 IR Inten    --     39.8312                32.9652                27.1411
 RamAct Fr= 1--    180.2472               167.7595                65.0644
  Dep-P Fr= 1--      0.1181                 0.1679                 0.6737
  Dep-U Fr= 1--      0.2112                 0.2876                 0.8050
 Alpha2 Fr= 1--      3.0184                 2.4773                 0.0879
 Beta2  Fr= 1--      6.3453                 8.0404                 8.7297
 AlphaG Fr= 1--     -2.3361                 2.2274                -0.0909
 Gamma2 Fr= 1--      2.0528                17.0254               -16.9783
 Delta2 Fr= 1--     11.9698                 8.9321               -13.4820
 Raman1 Fr= 1--     720.989                671.038                260.258
 ROA1   Fr= 1--     580.096               1920.265              -2061.344
 CID1   Fr= 1--       0.805                  2.862                 -7.920
 Raman2 Fr= 1--      76.144                 96.485                104.756
 ROA2   Fr= 1--     -46.492                337.152               -299.624
 CID2   Fr= 1--      -0.611                  3.494                 -2.860
 Raman3 Fr= 1--     152.287                192.970                209.512
 ROA3   Fr= 1--     580.096               1920.265              -2061.344
 CID3   Fr= 1--       3.809                  9.951                 -9.839
 RC180  Fr= 1--      -0.578                 -0.425                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.01  -0.02  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.04   0.02  -0.05    -0.03  -0.01  -0.00    -0.05   0.00  -0.06
     9   6     0.00  -0.02   0.01     0.01  -0.06   0.05    -0.00   0.01  -0.02
    10   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    14   1    -0.08   0.22   0.32     0.01  -0.02  -0.02    -0.01   0.01   0.02
    15   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.02   0.03   0.00
    16   1     0.00  -0.16   0.72    -0.00   0.02  -0.09    -0.01  -0.11   0.48
    17   1    -0.42  -0.06  -0.18     0.34   0.05   0.14     0.66   0.09   0.25
    18   1    -0.02   0.24  -0.12    -0.09   0.80  -0.40     0.02  -0.19   0.09
    19   1    -0.02  -0.02  -0.05    -0.05  -0.05  -0.17     0.04   0.03   0.14
    20   1     0.02  -0.06  -0.09    -0.01   0.03   0.04     0.03  -0.08  -0.13
    21   1     0.04  -0.00  -0.00    -0.04   0.00   0.00    -0.13   0.02   0.02
    22   1    -0.01  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.34   0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9155              3095.2437              3159.2040
 Red. masses --      1.1019                 1.1020                 1.0859
 Frc consts  --      6.1986                 6.2202                 6.3854
 IR Inten    --     46.9860                37.5166                 8.1638
 RamAct Fr= 1--    106.0915                86.9567                17.4337
  Dep-P Fr= 1--      0.4746                 0.7499                 0.6925
  Dep-U Fr= 1--      0.6437                 0.8571                 0.8183
 Alpha2 Fr= 1--      0.5872                 0.0001                 0.0176
 Beta2  Fr= 1--     11.3810                12.4216                 2.3777
 AlphaG Fr= 1--      0.2746                 0.0004                 0.0363
 Gamma2 Fr= 1--     14.5948                -6.7840                 1.0091
 Delta2 Fr= 1--      9.1068                -3.6775                 0.5257
 Raman1 Fr= 1--     424.366                347.827                 69.735
 ROA1   Fr= 1--    1692.517               -768.944                113.695
 CID1   Fr= 1--       3.988                 -2.211                  1.630
 Raman2 Fr= 1--     136.572                149.059                 28.532
 ROA2   Fr= 1--     277.421               -133.397                 20.013
 CID2   Fr= 1--       2.031                 -0.895                  0.701
 Raman3 Fr= 1--     273.145                298.119                 57.064
 ROA3   Fr= 1--    1692.517               -768.944                113.695
 CID3   Fr= 1--       6.196                 -2.579                  1.992
 RC180  Fr= 1--       0.287                  0.714                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03   0.03   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03   0.01   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.05  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.04  -0.01
     7   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.03   0.00  -0.03     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.33  -0.31  -0.03
    11   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.36  -0.10  -0.06
    12   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.14   0.64   0.15
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.10   0.42   0.10
    14   1     0.04  -0.10  -0.14    -0.02   0.06   0.09    -0.00   0.00   0.01
    15   6    -0.07   0.03   0.05    -0.04  -0.07  -0.01    -0.00  -0.00  -0.00
    16   1     0.00   0.01  -0.03    -0.01  -0.05   0.22    -0.00   0.00  -0.00
    17   1     0.06   0.01   0.02     0.31   0.05   0.12    -0.00  -0.00  -0.00
    18   1    -0.00   0.03  -0.02     0.01  -0.08   0.04    -0.00   0.01  -0.00
    19   1    -0.01  -0.00  -0.02     0.02   0.01   0.07     0.00   0.00   0.00
    20   1     0.11  -0.37  -0.55    -0.08   0.19   0.30    -0.00   0.00   0.00
    21   1     0.71  -0.06  -0.07     0.29  -0.05  -0.04     0.00  -0.00  -0.00
    22   1     0.01   0.06   0.01     0.31   0.69  -0.10     0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3164.0522              3176.7425              3190.6733
 Red. masses --      1.0884                 1.0918                 1.0965
 Frc consts  --      6.4197                 6.4914                 6.5769
 IR Inten    --      1.6939                26.1423                22.3365
 RamAct Fr= 1--    155.0627                69.5767               301.7478
  Dep-P Fr= 1--      0.4979                 0.7482                 0.1043
  Dep-U Fr= 1--      0.6648                 0.8560                 0.1889
 Alpha2 Fr= 1--      0.7733                 0.0021                 5.2280
 Beta2  Fr= 1--     17.1806                 9.9261                 9.4981
 AlphaG Fr= 1--      0.1687                -0.0115                 0.4373
 Gamma2 Fr= 1--     -0.5448                 0.6723                 1.4246
 Delta2 Fr= 1--     -0.8894                -3.3555                 3.0698
 Raman1 Fr= 1--     620.251                278.307               1206.991
 ROA1   Fr= 1--     -80.764                -42.838                234.995
 CID1   Fr= 1--      -0.130                 -0.154                  0.195
 Raman2 Fr= 1--     206.168                119.113                113.978
 ROA2   Fr= 1--      -5.961                 42.979                  9.631
 CID2   Fr= 1--      -0.029                  0.361                  0.085
 Raman3 Fr= 1--     412.335                238.227                227.955
 ROA3   Fr= 1--     -80.764                -42.838                234.995
 CID3   Fr= 1--      -0.196                 -0.180                  1.031
 RC180  Fr= 1--       0.330                  0.712                 -0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04   0.03   0.00    -0.04  -0.04  -0.00
     2   6    -0.03   0.01   0.00    -0.05   0.01   0.01    -0.06   0.02   0.01
     3   6    -0.01   0.05   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.01   0.04   0.01    -0.00   0.02   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1     0.10   0.10   0.01    -0.43  -0.39  -0.04     0.48   0.45   0.05
    11   1     0.32  -0.09  -0.05     0.52  -0.14  -0.08     0.64  -0.18  -0.10
    12   1     0.12  -0.54  -0.13     0.09  -0.38  -0.09    -0.05   0.22   0.05
    13   1    -0.17   0.69   0.16     0.10  -0.43  -0.10     0.06  -0.24  -0.06
    14   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   725.472361508.552942023.28571
           X            0.99997  -0.00668   0.00349
           Y            0.00669   0.99997  -0.00341
           Z           -0.00346   0.00343   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11939     0.05742     0.04281
 Rotational constants (GHZ):           2.48768     1.19634     0.89199
 Zero-point vibrational energy     504546.9 (Joules/Mol)
                                  120.58960 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    152.56   189.99   305.52   354.23   418.11
          (Kelvin)            525.67   594.26   642.83   771.30   799.00
                              862.74   962.02  1063.81  1098.12  1127.99
                             1133.64  1226.75  1265.71  1307.43  1347.70
                             1384.30  1386.25  1402.08  1487.94  1511.86
                             1566.94  1591.88  1611.17  1701.02  1702.54
                             1713.97  1752.57  1771.63  1851.47  1872.65
                             1906.86  1939.92  1947.42  1960.51  2027.32
                             2135.23  2147.36  2153.29  2159.39  2163.43
                             2182.96  2343.23  2374.51  4341.92  4354.46
                             4361.89  4386.71  4418.58  4445.36  4445.70
                             4453.37  4545.39  4552.37  4570.62  4590.67
 
 Zero-point correction=                           0.192172 (Hartree/Particle)
 Thermal correction to Energy=                    0.200469
 Thermal correction to Enthalpy=                  0.201413
 Thermal correction to Gibbs Free Energy=         0.159320
 Sum of electronic and zero-point Energies=           -388.291447
 Sum of electronic and thermal Energies=              -388.283150
 Sum of electronic and thermal Enthalpies=            -388.282206
 Sum of electronic and thermal Free Energies=         -388.324299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.796             33.754             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.183
 Vibrational            124.019             27.792             18.862
 Vibration     1          0.605              1.944              3.340
 Vibration     2          0.612              1.921              2.916
 Vibration     3          0.643              1.822              2.023
 Vibration     4          0.661              1.769              1.758
 Vibration     5          0.687              1.691              1.470
 Vibration     6          0.739              1.544              1.099
 Vibration     7          0.777              1.442              0.916
 Vibration     8          0.806              1.368              0.806
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.911              1.128              0.533
 Vibration    11          0.958              1.033              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.522369D-73        -73.282023       -168.738093
 Total V=0       0.129054D+16         15.110772         34.793839
 Vib (Bot)       0.164337D-86        -86.784266       -199.828156
 Vib (Bot)    1  0.193311D+01          0.286256          0.659129
 Vib (Bot)    2  0.154301D+01          0.188369          0.433736
 Vib (Bot)    3  0.934438D+00         -0.029449         -0.067810
 Vib (Bot)    4  0.794157D+00         -0.100094         -0.230474
 Vib (Bot)    5  0.657839D+00         -0.181881         -0.418796
 Vib (Bot)    6  0.499876D+00         -0.301137         -0.693394
 Vib (Bot)    7  0.427378D+00         -0.369188         -0.850086
 Vib (Bot)    8  0.384823D+00         -0.414739         -0.954973
 Vib (Bot)    9  0.296636D+00         -0.527776         -1.215248
 Vib (Bot)   10  0.281144D+00         -0.551072         -1.268890
 Vib (Bot)   11  0.249113D+00         -0.603604         -1.389850
 Vib (V=0)       0.406003D+02          1.608529          3.703776
 Vib (V=0)    1  0.249672D+01          0.397370          0.914979
 Vib (V=0)    2  0.212200D+01          0.326745          0.752359
 Vib (V=0)    3  0.155980D+01          0.193069          0.444557
 Vib (V=0)    4  0.143845D+01          0.157894          0.363565
 Vib (V=0)    5  0.132629D+01          0.122638          0.282384
 Vib (V=0)    6  0.120702D+01          0.081714          0.188154
 Vib (V=0)    7  0.115776D+01          0.063620          0.146490
 Vib (V=0)    8  0.113094D+01          0.053441          0.123051
 Vib (V=0)    9  0.108137D+01          0.033975          0.078230
 Vib (V=0)   10  0.107362D+01          0.030851          0.071038
 Vib (V=0)   11  0.105862D+01          0.024740          0.056967
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.532678D+06          5.726465         13.185673
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 333333333333                                                     11111111111111111111 11111                                         
 111100000000                                                     66555444433333222111 11000999998 87777  6  655   44 3  2 22  11    
 976599974321                                                     52100998065420831988 20853766308 58863  6  053   41 6  9 41  30    
 174950019278                                                     09741724934852718132 06914432790 38439  9  056   73 5  1 62  26    
 
 XXXXXXXXXXXX                                                     XXXXXXXXXXXXXXXXXXXX XXXXXXXXXX  XXXXX  X  XXX   XX X  X  X  X     
 XX XXXXXXXXX                                                       X XXX XX                         XXX           X                 
 XX XXXXXXXXX                                                       X   X                             XX           X                 
 XX  XXXXX XX                                                       X   X                             XX                             
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
  X  XXXXX XX                                                                                         X                              
     XXXXX X                                                                                          X                              
     XX XX X                                                                                          X                              
     XX XX                                                                                            X                              
     XX  X                                                                                            X                              
     XX  X                                                                                            X                              
      X  X                                                                                            X                              
      X                                                                                               X                              
      X                                                                                               X                              
      X                                                                                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000176   -0.000007274    0.000004377
      2        6           0.000008375   -0.000001666    0.000004004
      3        6          -0.000003316   -0.000002474    0.000002029
      4        6          -0.000006746    0.000019656   -0.000006706
      5        6          -0.000003354    0.000011821   -0.000011281
      6        6          -0.000003151   -0.000005708    0.000001043
      7        6          -0.000000539    0.000005637   -0.000015301
      8        6           0.000001566    0.000001599    0.000009947
      9        6           0.000004447   -0.000008549    0.000008247
     10        1           0.000000267    0.000000763    0.000000439
     11        1           0.000000010   -0.000000731   -0.000000503
     12        1          -0.000000227   -0.000001079   -0.000000359
     13        1          -0.000000236   -0.000000580   -0.000001319
     14        1           0.000000999   -0.000000119    0.000000321
     15        6           0.000000368   -0.000001152    0.000002625
     16        1           0.000006670    0.000001054    0.000000142
     17        1          -0.000005114   -0.000007381   -0.000000162
     18        1           0.000000950    0.000000875    0.000002638
     19        1          -0.000005898   -0.000002005   -0.000005927
     20        1           0.000003422   -0.000004208    0.000005303
     21        1           0.000003465    0.000001757    0.000001758
     22        1          -0.000002134   -0.000000236   -0.000001314
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000019656 RMS     0.000005248
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.148792D+03  0.171995D+01 -0.229890D+01
      2   0.171995D+01  0.126372D+03  0.520435D+01
      3  -0.229890D+01  0.520435D+01  0.852660D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.300693D+01 -0.201279D+01  0.284104D+01
      2   0.101216D+02 -0.148453D+02  0.132859D+02
      3   0.128450D+01  0.339600D+02  0.119624D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.813396D+02 -0.126370D+02  0.801334D+01
      2   0.381746D+02  0.511849D+01 -0.567126D+01
      3   0.431651D+02  0.751854D+01 -0.234208D+01
      4  -0.220163D+02 -0.360699D+02 -0.315275D+02
      5   0.220840D+02 -0.317598D+02  0.369570D+02
      6  -0.140245D+02  0.746611D+01 -0.296151D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.101804D+01 -0.154615D+01 -0.708937D+00 -0.483122D+01  0.402637D+00
      2  -0.154615D+01 -0.244562D+01 -0.686599D+00  0.402637D+00 -0.228344D+01
      3  -0.708937D+00 -0.686599D+00 -0.211501D+01  0.113941D+01  0.957864D+00
                 6             7             8             9            10 
      1   0.113941D+01 -0.164643D+01  0.763400D+00 -0.393217D+01 -0.473095D+01
      2   0.957864D+00  0.763400D+00  0.138891D+01 -0.314913D+01  0.132721D+01
      3  -0.200063D+01 -0.393217D+01 -0.314913D+01 -0.953629D+00 -0.499561D+00
                11            12            13            14            15 
      1   0.132721D+01 -0.499561D+00  0.234523D+01  0.187511D+01  0.134565D+01
      2  -0.263748D+01  0.271687D-01  0.187511D+01  0.202300D+01 -0.600048D+00
      3   0.271687D-01 -0.258216D+01  0.134565D+01 -0.600048D+00  0.629146D+00
                16            17            18            19            20 
      1   0.627537D-01  0.146102D+01 -0.509786D+01 -0.974671D+00  0.390148D+01
      2   0.146102D+01  0.279760D+00  0.113733D+01  0.390148D+01  0.122448D+01
      3  -0.509786D+01  0.113733D+01  0.173763D+01  0.625059D+00 -0.340206D+00
                21            22            23            24            25 
      1   0.625059D+00 -0.532983D+01  0.637345D+00 -0.149567D+00 -0.834449D+00
      2  -0.340206D+00  0.637345D+00 -0.197857D+01  0.106820D+01 -0.113149D+01
      3   0.693970D+00 -0.149567D+00  0.106820D+01 -0.163753D+01 -0.297414D+00
                26            27            28            29            30 
      1  -0.113149D+01 -0.297414D+00  0.145758D+02 -0.421104D+01 -0.340108D+00
      2   0.114253D+01 -0.355708D+01 -0.421104D+01  0.455013D+01  0.223245D+00
      3  -0.355708D+01 -0.253985D+01 -0.340108D+00  0.223245D+00  0.174179D+01
                31            32            33            34            35 
      1  -0.870540D+01 -0.174326D+01 -0.529000D+00 -0.179402D+01 -0.120591D+01
      2  -0.174326D+01 -0.539695D+00 -0.169494D-01 -0.120591D+01 -0.486516D+00
      3  -0.529000D+00 -0.169494D-01 -0.147430D+00  0.326904D+01 -0.152538D+01
                36            37            38            39            40 
      1   0.326904D+01  0.345957D+01  0.415823D+01  0.833427D+00  0.127974D+02
      2  -0.152538D+01  0.415823D+01  0.650922D+01  0.129909D+01  0.326647D+01
      3  -0.156519D+01  0.833427D+00  0.129909D+01  0.175135D+01  0.918314D-01
                41            42            43            44            45 
      1   0.326647D+01  0.918314D-01  0.279180D+01  0.313762D+00  0.222620D+01
      2   0.522802D+01 -0.370142D+00  0.313762D+00 -0.110909D+01  0.241859D+01
      3  -0.370142D+00  0.948290D+00  0.222620D+01  0.241859D+01  0.584591D+00
                46            47            48            49            50 
      1   0.122538D+01 -0.344186D+01 -0.419046D+00  0.507376D+01 -0.632147D+00
      2  -0.344186D+01 -0.262876D+01  0.419167D+00 -0.632147D+00  0.107294D+01
      3  -0.419046D+00  0.419167D+00  0.190125D+00  0.172126D+00 -0.905409D+00
                51            52            53            54            55 
      1   0.172126D+00  0.523891D+00  0.110290D+01 -0.174572D+01 -0.358801D+01
      2  -0.905409D+00  0.110290D+01 -0.836869D+00  0.347495D+01  0.300902D+01
      3   0.193507D+01 -0.174572D+01  0.347495D+01  0.222790D+01 -0.117667D-01
                56            57            58            59            60 
      1   0.300902D+01 -0.117667D-01  0.443644D+01 -0.409683D+01  0.492322D+00
      2  -0.281816D+01  0.645237D+00 -0.409683D+01 -0.150735D+01  0.172844D+01
      3   0.645237D+00 -0.216488D+01  0.492322D+00  0.172844D+01  0.322817D+01
                61            62            63            64            65 
      1  -0.205032D+01  0.103606D+01 -0.421189D+01 -0.631988D+01 -0.189757D+01
      2   0.103606D+01  0.802605D+00  0.427070D+01 -0.189757D+01  0.154963D+01
      3  -0.421189D+01  0.427070D+01  0.191809D+01 -0.214930D+01  0.173248D+00
                66            67            68            69            70 
      1  -0.214930D+01 -0.171423D+01  0.131230D+01  0.298048D+00 -0.374155D+01
      2   0.173248D+00  0.131230D+01  0.264235D+01 -0.119470D+01 -0.963036D-01
      3   0.399133D+00  0.298048D+00 -0.119470D+01 -0.141100D+01 -0.460955D+00
                71            72            73            74            75 
      1  -0.963036D-01 -0.460955D+00 -0.244230D+01 -0.910079D+00 -0.432921D+00
      2  -0.179786D+00 -0.226851D+01 -0.910079D+00 -0.218982D+01 -0.173429D+01
      3  -0.226851D+01  0.576837D+01 -0.432921D+00 -0.173429D+01 -0.168758D+01
                76            77            78            79            80 
      1  -0.134197D+01 -0.380264D+01 -0.128920D+01 -0.203267D+01 -0.269404D+01
      2  -0.380264D+01 -0.806091D+01  0.153923D+01 -0.269404D+01  0.155350D+01
      3  -0.128920D+01  0.153923D+01 -0.116917D+01 -0.319181D+01 -0.315665D+01
                81            82            83            84            85 
      1  -0.319181D+01 -0.737824D+01 -0.447249D+01 -0.395641D+00 -0.448771D+01
      2  -0.315665D+01 -0.447249D+01 -0.346715D+01 -0.228099D+00 -0.434302D+01
      3  -0.447206D+01 -0.395641D+00 -0.228099D+00 -0.736225D+00 -0.662887D+00
                86            87            88            89            90 
      1  -0.434302D+01 -0.662887D+00 -0.272345D+00 -0.511367D+00 -0.178992D-01
      2  -0.500058D+01 -0.594268D+00 -0.511367D+00 -0.852500D+00 -0.674973D-01
      3  -0.594268D+00 -0.742820D+00 -0.178992D-01 -0.674973D-01 -0.961430D-01
                91            92            93            94            95 
      1  -0.126554D+02  0.238741D+01  0.153601D+01  0.249619D+01 -0.205035D+01
      2   0.238741D+01 -0.128215D+01 -0.283230D+00 -0.205035D+01  0.105256D+01
      3   0.153601D+01 -0.283230D+00 -0.114169D+01 -0.653797D+00  0.325965D+00
                96            97            98            99           100 
      1  -0.653797D+00  0.164509D+01 -0.640203D+00 -0.172657D+00  0.546244D+00
      2   0.325965D+00 -0.640203D+00  0.288956D+00  0.844201D-01 -0.132724D+01
      3   0.369296D+00 -0.172657D+00  0.844201D-01  0.211243D+00 -0.321888D+00
               101           102           103           104           105 
      1  -0.132724D+01 -0.321888D+00 -0.106018D+01  0.748145D+00  0.136242D+00
      2   0.135550D+01  0.443770D+00  0.748145D+00 -0.988425D+01 -0.216629D+01
      3   0.443770D+00  0.271235D+00  0.136242D+00 -0.216629D+01 -0.146966D+01
               106           107           108           109           110 
      1  -0.348769D+00  0.430005D+00  0.202692D-01 -0.139568D+01  0.185242D+01
      2   0.430005D+00 -0.235251D+01 -0.604133D+00  0.185242D+01 -0.193903D+01
      3   0.202692D-01 -0.604133D+00 -0.402980D+00  0.467729D+00 -0.501159D+00
               111           112           113           114           115 
      1   0.467729D+00  0.180987D+01 -0.288996D+01 -0.640934D+00  0.508561D+00
      2  -0.501159D+00 -0.288996D+01  0.975801D+01  0.199765D+01 -0.800182D+00
      3  -0.411777D+00 -0.640934D+00  0.199765D+01  0.139671D+01 -0.269484D+00
               116           117           118           119           120 
      1  -0.800182D+00 -0.269484D+00  0.198326D+01 -0.138541D+01 -0.137733D+01
      2   0.209831D+01  0.535255D+00 -0.138541D+01  0.106712D+01  0.409126D+00
      3   0.535255D+00  0.391945D+00 -0.137733D+01  0.409126D+00  0.140593D+01
               121           122           123           124           125 
      1  -0.321763D+01  0.229662D+01  0.952736D+00 -0.255658D+01  0.124525D+01
      2   0.229662D+01 -0.317504D+01 -0.216941D+01  0.124525D+01 -0.251403D+01
      3   0.952736D+00 -0.216941D+01 -0.292271D+01  0.258886D+01 -0.288314D+01
               126           127           128           129           130 
      1   0.258886D+01 -0.838501D+01  0.177748D+01  0.616409D+00 -0.130944D+01
      2  -0.288314D+01  0.177748D+01  0.269879D+01 -0.116483D+01  0.307547D+01
      3  -0.540739D+01  0.616409D+00 -0.116483D+01  0.196207D+01 -0.127700D+01
               131           132           133           134           135 
      1   0.307547D+01 -0.127700D+01  0.513329D+01 -0.231678D+01  0.285948D+01
      2   0.351664D+01 -0.151449D+01 -0.231678D+01 -0.215275D+00 -0.345727D+01
      3  -0.151449D+01 -0.302605D+01  0.285948D+01 -0.345727D+01 -0.197169D+01
               136           137           138           139           140 
      1   0.112563D+01  0.539933D+00 -0.932142D+00  0.588191D+00  0.412814D+00
      2   0.539933D+00 -0.149334D+00 -0.193875D+00  0.412814D+00  0.883952D+00
      3  -0.932142D+00 -0.193875D+00  0.175569D+00 -0.504309D+00 -0.122209D+01
               141           142           143           144           145 
      1  -0.504309D+00 -0.166544D+01 -0.624553D+00  0.227034D+01  0.108149D+02
      2  -0.122209D+01 -0.624553D+00 -0.197035D+01  0.246114D+01  0.204833D+01
      3   0.161553D+01  0.227034D+01  0.246114D+01 -0.864351D+01  0.867291D+00
               146           147           148           149           150 
      1   0.204833D+01  0.867291D+00  0.132870D+01  0.128679D+01  0.107240D-01
      2   0.151910D+01 -0.626665D-01  0.128679D+01  0.497328D+00  0.280916D+00
      3  -0.626665D-01  0.124684D+01  0.107240D-01  0.280916D+00  0.324335D+00
               151           152           153           154           155 
      1   0.324274D+01  0.575570D+00  0.145345D+01 -0.120204D+00  0.870165D+00
      2   0.575570D+00  0.712520D+00  0.506542D+00  0.870165D+00 -0.834480D+00
      3   0.145345D+01  0.506542D+00  0.623411D-01 -0.338845D+00  0.196490D+00
               156           157           158           159           160 
      1  -0.338845D+00  0.209128D+01  0.195304D+01 -0.192892D+00 -0.486040D+00
      2   0.196490D+00  0.195304D+01  0.107213D+02 -0.185187D+01 -0.149331D+00
      3   0.114353D+00 -0.192892D+00 -0.185187D+01  0.136921D+01  0.753354D+00
               161           162           163           164           165 
      1  -0.149331D+00  0.753354D+00  0.226565D+01  0.109345D+01  0.150095D+01
      2  -0.343936D+01  0.212931D+01  0.109345D+01  0.876923D+00  0.834986D+00
      3   0.212931D+01 -0.670130D+00  0.150095D+01  0.834986D+00  0.146284D+01
               166           167           168           169           170 
      1   0.799235D+00  0.165306D+01  0.697793D+00  0.410672D+01  0.253256D+01
      2   0.165306D+01  0.291090D+01  0.143004D+01  0.253256D+01  0.334865D+01
      3   0.697793D+00  0.143004D+01  0.119443D+01  0.285338D+01  0.344699D+01
               171           172           173           174           175 
      1   0.285338D+01  0.413831D+00  0.253720D+00  0.515727D+00  0.114645D+01
      2   0.344699D+01  0.253720D+00 -0.602817D+00  0.128626D+00 -0.430838D+00
      3   0.669397D+01  0.515727D+00  0.128626D+00 -0.981950D+00  0.525239D+00
               176           177           178           179           180 
      1  -0.430838D+00  0.525239D+00  0.115913D+01 -0.336191D-01  0.463145D+00
      2   0.104292D+01  0.106725D+01 -0.336191D-01  0.161801D+01  0.109044D+01
      3   0.106725D+01  0.281754D+01  0.463145D+00  0.109044D+01  0.605704D+01
               181           182           183           184           185 
      1   0.128738D+02 -0.312749D+01  0.962626D+00 -0.126256D+01  0.128399D+01
      2  -0.312749D+01  0.185918D+01 -0.413697D+00  0.128399D+01 -0.121583D+01
      3   0.962626D+00 -0.413697D+00  0.138681D+01  0.702977D-01  0.222559D+00
               186           187           188           189           190 
      1   0.702977D-01 -0.147055D+01  0.498172D+00  0.875559D+00 -0.275733D+00
      2   0.222559D+00  0.498172D+00 -0.411293D+00  0.462963D-01 -0.899496D+00
      3   0.153173D+00  0.875559D+00  0.462963D-01  0.449615D-01  0.224803D-02
               191           192           193           194           195 
      1  -0.899496D+00  0.224803D-02 -0.165258D+01 -0.214760D+00 -0.328383D-01
      2  -0.221525D+01  0.808505D+00 -0.214760D+00 -0.770422D+01  0.198755D+01
      3   0.808505D+00 -0.980745D+00 -0.328383D-01  0.198755D+01 -0.145391D+01
               196           197           198 
      1  -0.274811D+00  0.245092D+00 -0.235227D+00
      2   0.245092D+00  0.113383D+01 -0.933164D+00
      3  -0.235227D+00 -0.933164D+00  0.102449D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.199449D+01  0.819866D+00 -0.387990D+01  0.273116D+01 -0.685926D+00
      2   0.242175D+01  0.166871D+01  0.434373D+01 -0.248160D+01 -0.270670D+01
      3  -0.641154D+01 -0.103619D+02 -0.111835D+01  0.846048D+01 -0.393243D+01
                 6             7             8             9            10 
      1  -0.811811D+00 -0.802371D+01  0.500236D+01  0.205104D+01  0.632924D+00
      2   0.611168D+01 -0.154763D+00  0.107345D+02  0.370737D+01 -0.803394D+00
      3   0.131186D+01  0.292297D+01  0.326354D+01 -0.474332D+01  0.483916D+01
                11            12            13            14            15 
      1   0.425292D+00  0.194113D+01 -0.959775D-01 -0.267555D+01  0.208821D+01
      2  -0.117429D+00  0.763104D+01 -0.381624D+01  0.640080D+00 -0.235988D+01
      3  -0.889602D+01 -0.348390D+00  0.109143D+02  0.434736D+01 -0.177187D+01
                16            17            18            19            20 
      1   0.455385D+01  0.108163D+02  0.219761D+01  0.104932D+01 -0.125144D+01
      2   0.746636D+01 -0.513749D+01 -0.444682D+01 -0.502723D+01  0.310046D+01
      3   0.345623D+01 -0.119019D+01  0.208697D+01  0.899559D+01 -0.630109D+01
                21            22            23            24            25 
      1   0.282562D+01 -0.670961D+00  0.971287D+00 -0.326442D+01  0.341307D+01
      2  -0.141021D+01  0.159196D+01  0.603469D+00  0.241648D+01 -0.139562D+02
      3  -0.365339D+01  0.575333D+01 -0.740804D+01  0.189724D+00 -0.375099D+01
                26            27            28            29            30 
      1   0.276837D+00 -0.122621D+01  0.356777D-01  0.253211D+00  0.193486D+01
      2   0.321272D+01  0.348442D+01  0.267035D+01 -0.362026D+01 -0.220806D+01
      3   0.100721D+01 -0.553229D+01 -0.618418D+01  0.134430D+02  0.195314D+01
                31            32            33            34            35 
      1   0.229002D+00 -0.349830D+01 -0.119320D+01  0.400812D+01  0.997025D+01
      2  -0.170246D+01  0.859972D+00  0.412706D+00 -0.143582D+02 -0.623379D+00
      3   0.118854D+02 -0.102151D+02  0.132454D+01 -0.533312D+00 -0.161332D+01
                36            37            38            39            40 
      1   0.814251D+00 -0.185462D+01 -0.207789D+00 -0.135616D+01  0.724108D+00
      2   0.883771D+00 -0.247999D+00 -0.471248D-01 -0.199934D+01  0.385348D+01
      3  -0.243986D+01 -0.239948D+01  0.104219D+02  0.254061D+01  0.127929D+02
                41            42            43            44            45 
      1  -0.415159D+00 -0.351909D+00 -0.404821D+01  0.748595D+01  0.152195D+01
      2  -0.303505D+01 -0.162138D+01 -0.142535D+02 -0.806785D+00 -0.929228D-01
      3   0.194247D+02  0.146082D+01 -0.870554D+00  0.324490D+01  0.463986D+01
                46            47            48            49            50 
      1   0.648360D+00 -0.934658D+00 -0.108531D+01 -0.616723D+00 -0.303119D-01
      2   0.511387D+00  0.204710D+01 -0.814156D+00  0.221996D+01  0.234872D+01
      3  -0.460597D+01 -0.150380D+02 -0.198441D+01  0.477145D-01  0.373175D+01
                51            52            53            54            55 
      1  -0.332356D+01  0.254846D+01  0.971696D+00 -0.791508D+00 -0.168530D+01
      2  -0.519256D+01 -0.106659D+02 -0.853698D+01 -0.338726D+01 -0.377576D+00
      3  -0.155878D+01 -0.203426D+01 -0.213117D+01  0.538023D+01  0.177429D-01
                56            57            58            59            60 
      1   0.415279D+00 -0.271723D+01 -0.174720D+00  0.476460D+01  0.278957D+00
      2   0.279358D+01 -0.551423D+00  0.372879D+01  0.618621D+00  0.585572D+01
      3  -0.471887D+01  0.928350D+00  0.903766D+01  0.116698D+02 -0.479562D+01
                61            62            63            64            65 
      1  -0.574667D+01  0.683837D+01  0.618274D+00  0.402039D+01 -0.187030D+01
      2  -0.138034D+02  0.900143D+01  0.170647D+01 -0.123497D+02 -0.848427D+00
      3   0.216634D+01 -0.532620D+01 -0.442300D+01  0.361607D-01 -0.100279D+02
                66            67            68            69            70 
      1  -0.583207D+00 -0.495322D+00 -0.242971D+01  0.129966D+01  0.109161D+01
      2   0.122885D+01  0.296226D+00 -0.450524D+00 -0.395264D+01 -0.896190D+01
      3  -0.337246D+01 -0.615562D+01 -0.675516D+01  0.459462D+01 -0.605373D+01
                71            72            73            74            75 
      1   0.537860D+01 -0.445455D+01  0.168681D+01  0.468232D+01  0.349907D+01
      2  -0.704631D+01  0.131468D+02  0.128783D+00 -0.130513D+01  0.334664D+00
      3   0.327211D+01  0.508704D+01 -0.411706D+01 -0.440163D+01  0.812185D+00
                76            77            78            79            80 
      1   0.171508D+01 -0.870229D+01  0.714345D+00  0.987033D+01  0.127635D+02
      2  -0.155004D+01  0.268166D+01  0.323778D+00 -0.761077D+01 -0.243174D+01
      3   0.104713D+02 -0.113717D+01 -0.722486D+01 -0.598128D+00 -0.131383D+02
                81            82            83            84            85 
      1   0.972250D+01  0.233935D+00  0.514152D+00 -0.252113D+01 -0.431303D+00
      2  -0.312623D+01 -0.462829D+00 -0.429447D+00  0.396917D+01  0.894559D+00
      3  -0.508589D+01 -0.182721D+01 -0.577140D+01  0.693219D-01 -0.377813D+01
                86            87            88            89            90 
      1  -0.371101D-01 -0.278073D+01  0.126275D+01  0.145047D+01 -0.192878D+00
      2   0.884654D+00  0.343082D+01 -0.161904D+01 -0.102430D+01  0.224219D+00
      3  -0.897768D+01 -0.723969D+00 -0.103799D+01 -0.160754D+01  0.124483D+00
                91            92            93            94            95 
      1  -0.162598D+00 -0.606699D+00  0.126098D+01 -0.102717D-01  0.176094D+00
      2  -0.182051D+01  0.293883D+00  0.647047D+01  0.156756D+01 -0.722842D+00
      3   0.199291D+01 -0.577639D+01 -0.223156D+00 -0.381819D+01  0.291438D+01
                96            97            98            99           100 
      1  -0.727516D+00 -0.873925D+00  0.648967D+00 -0.123559D+00  0.288755D+00
      2  -0.186333D+01 -0.239228D+01  0.526180D+00 -0.669299D+00  0.698106D+00
      3   0.678793D+00 -0.179854D+01  0.148239D+01  0.883113D-01 -0.394060D+01
               101           102           103           104           105 
      1   0.550177D-02  0.109069D+01 -0.285921D+00  0.895460D+00 -0.494494D+01
      2  -0.892233D+00 -0.878973D-01 -0.132548D+01  0.241894D+01  0.779315D+00
      3   0.379160D+01  0.965102D+00  0.655467D+01 -0.126423D+02 -0.287596D+01
               106           107           108           109           110 
      1  -0.253151D+00  0.225851D+01 -0.752583D+00 -0.167663D+00  0.122703D+00
      2  -0.138113D+01  0.659756D+00  0.268248D-01 -0.375896D+00  0.460119D+00
      3   0.146133D+01 -0.325563D+01 -0.470471D+00  0.861214D+00 -0.133698D+01
               111           112           113           114           115 
      1   0.120869D+01  0.123811D+00  0.674769D+00 -0.488486D+01 -0.336321D+00
      2   0.108130D+01  0.101164D+00 -0.313239D+01 -0.301393D+01 -0.896026D+00
      3  -0.369427D+00  0.951081D+00  0.146580D+02  0.290139D+01 -0.137788D+00
               116           117           118           119           120 
      1   0.203561D+01 -0.727376D+00 -0.748153D+00 -0.610310D+00  0.149155D+01
      2  -0.124790D+00 -0.468615D+00 -0.986762D+00  0.379932D+00  0.287415D+01
      3   0.324839D+01  0.290903D+00  0.137053D+01 -0.330502D+01  0.147756D+00
               121           122           123           124           125 
      1   0.221884D+00  0.578529D+00 -0.285026D+01  0.206199D+01  0.116536D+01
      2  -0.384337D+00 -0.243786D+01 -0.512229D+01  0.101870D+01 -0.393289D+01
      3   0.105062D+01  0.338785D+01  0.362362D+01  0.118897D+01  0.492506D+01
               126           127           128           129           130 
      1  -0.370233D+01  0.304449D+01  0.206057D+01  0.282225D+01 -0.132397D+01
      2  -0.803433D+01  0.115961D+02 -0.646671D+01  0.779129D+01 -0.617837D+01
      3   0.374129D+01  0.902334D+01 -0.134911D+02  0.146278D+01 -0.573106D+01
               131           132           133           134           135 
      1   0.388137D+01 -0.111603D+02  0.239702D+01 -0.624664D+01 -0.701280D+01
      2  -0.597049D+01 -0.715786D+01  0.506724D+01 -0.757267D+01 -0.676997D+01
      3  -0.173398D+02  0.712747D+01 -0.155121D+00  0.715921D+01  0.478468D+01
               136           137           138           139           140 
      1   0.295762D-02  0.760265D+00  0.226986D-01  0.828784D+00  0.407347D-01
      2  -0.419300D+00 -0.105360D+00  0.904004D+00 -0.328724D+00 -0.253329D+01
      3  -0.741365D+00  0.699153D+00 -0.190069D+00  0.289045D+01 -0.119551D+01
               141           142           143           144           145 
      1  -0.142896D+01 -0.138234D+01  0.232890D+01  0.655825D+01 -0.232182D+01
      2   0.338788D+01  0.746993D+00  0.455694D+01 -0.183015D+02  0.900522D+01
      3   0.232152D+01 -0.107869D+01  0.529050D+01 -0.262098D+01  0.655404D+01
               146           147           148           149           150 
      1  -0.856213D+00 -0.165547D+01 -0.763273D+00 -0.460887D+00 -0.133223D+01
      2   0.116185D+01  0.666311D+01  0.941563D+00  0.153877D+01  0.114225D+01
      3  -0.587048D+01  0.116437D+01 -0.414545D+00  0.338918D+00 -0.128906D+01
               151           152           153           154           155 
      1  -0.163581D+01  0.837064D-02 -0.810602D+00  0.415948D+00 -0.895749D+00
      2   0.416519D+01  0.147058D+01  0.172079D+01  0.206456D+00  0.589784D+00
      3   0.240432D+01 -0.294172D+01  0.193526D+00 -0.153572D+01  0.502554D-02
               156           157           158           159           160 
      1  -0.951012D-02  0.186057D+01  0.615381D+01 -0.604185D+01 -0.200383D+01
      2   0.111497D+01 -0.496660D+00 -0.216106D+01  0.132852D+01  0.118916D+00
      3  -0.129848D+01  0.500159D+01 -0.869432D+01  0.223679D+01 -0.234063D+01
               161           162           163           164           165 
      1  -0.411587D+01  0.235506D+01 -0.312771D+01 -0.105542D+01 -0.356627D+01
      2   0.144027D+01 -0.880024D+00 -0.621600D+00  0.683575D+00  0.253236D+01
      3   0.493832D+01 -0.867799D+00  0.593648D+01 -0.125668D+00  0.211571D+01
               166           167           168           169           170 
      1  -0.125205D+01 -0.160357D+01 -0.316813D+01 -0.659273D+01 -0.493266D+01
      2   0.657118D+00  0.100697D+01  0.139457D+01  0.683278D+00  0.284560D+01
      3  -0.300703D+00 -0.244345D+00  0.831281D-01  0.691559D+01  0.155718D+01
               171           172           173           174           175 
      1  -0.152896D+02  0.120046D+01 -0.155041D+01 -0.135043D+01 -0.637093D+00
      2   0.635231D+01  0.154558D+01 -0.249503D+00 -0.218595D+01 -0.111908D+01
      3   0.220008D+01 -0.809481D+00  0.895740D+00 -0.615691D+00  0.106896D+01
               176           177           178           179           180 
      1   0.512031D+01  0.460865D+01 -0.911278D-01  0.684506D+01  0.104690D+02
      2   0.342263D+01  0.667966D+01 -0.320166D+01  0.354970D+01  0.140854D+02
      3  -0.282613D+01 -0.327584D+01 -0.744308D+00 -0.448398D+01 -0.359533D+01
               181           182           183           184           185 
      1   0.103705D+00  0.116568D+01  0.260313D+01  0.724903D+00 -0.492066D+00
      2  -0.778353D+01  0.894978D+00  0.646392D+01  0.129872D+01  0.281166D-01
      3  -0.132669D+02 -0.378992D+01 -0.145513D+00  0.377826D+00  0.176916D+01
               186           187           188           189           190 
      1  -0.295260D+00  0.107901D+01  0.107318D+01  0.209609D+00 -0.130139D+01
      2   0.125924D+00  0.106061D+01  0.409059D+00 -0.443779D+00  0.134333D+01
      3  -0.522285D+00  0.522998D+00 -0.104819D+00 -0.178132D+01  0.535173D+01
               191           192           193           194           195 
      1  -0.138585D+01 -0.197606D+01 -0.125249D+01 -0.482835D+01 -0.306208D+01
      2   0.260991D+01 -0.151379D+01  0.223189D+01  0.609762D+01 -0.310543D+01
      3   0.677019D+01 -0.144330D+01  0.733613D+01  0.199861D+02 -0.496482D+01
               196           197           198 
      1  -0.437733D+00  0.116255D+01  0.116982D+01
      2  -0.146853D+01 -0.202950D+01  0.243111D+01
      3   0.953078D-01 -0.359599D+01  0.294290D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.345248D+01 -0.216317D+02 -0.333986D+01  0.278273D+02  0.841242D+00
      2  -0.133942D+01  0.149046D+02 -0.158034D+01 -0.278261D+02 -0.443862D+01
      3   0.479190D+01  0.672714D+01  0.492020D+01 -0.120829D-02  0.359737D+01
      4  -0.194978D+02  0.107577D+02  0.509755D+01  0.189634D+01 -0.152384D+02
      5   0.150762D+01  0.327371D+01  0.100796D+02 -0.658450D+01 -0.847186D+01
      6   0.267480D+01  0.260804D+01  0.896136D+01 -0.828657D+01 -0.455305D+01
                 6             7             8             9            10 
      1  -0.545855D+00  0.111167D+02  0.367160D+01  0.636388D+01 -0.108615D+02
      2   0.249025D+01 -0.122074D+02 -0.616909D+01 -0.108755D+02  0.634360D+01
      3  -0.194439D+01  0.109073D+01  0.249749D+01  0.451162D+01  0.451794D+01
      4  -0.105752D+02 -0.174375D+01 -0.102018D+02  0.132849D+02  0.652232D+01
      5   0.126816D+02  0.267138D+02  0.154239D+02  0.762156D+01  0.725343D+01
      6   0.270018D+01  0.837470D+01  0.118529D+02 -0.258924D+01  0.140646D+00
                11            12            13            14            15 
      1   0.637497D+01  0.763560D+01 -0.209979D+02 -0.187486D+02 -0.670495D+01
      2  -0.349442D+01 -0.259046D+01  0.186394D+02  0.185006D+02  0.869159D+01
      3  -0.288054D+01 -0.504514D+01  0.235843D+01  0.247992D+00 -0.198665D+01
      4   0.230177D+02 -0.400591D+00 -0.205868D+02  0.125879D+02  0.797180D+01
      5  -0.669304D+00  0.164703D+02 -0.119160D+02  0.527667D+01 -0.494139D+01
      6   0.127254D+00 -0.414924D+01  0.661408D+01  0.429534D+01 -0.392254D+01
                16            17            18            19            20 
      1   0.472219D+01 -0.894489D+01  0.128389D+02  0.107343D+02  0.548615D+01
      2   0.195876D+01  0.633576D+01 -0.179610D+02 -0.801336D+01 -0.686885D+01
      3  -0.668096D+01  0.260913D+01  0.512215D+01 -0.272094D+01  0.138270D+01
      4  -0.135310D+02  0.384362D+01 -0.396676D+01  0.852496D+01 -0.214277D+02
      5   0.346072D+02 -0.585430D+01 -0.921410D+01 -0.173421D+01 -0.178067D+01
      6  -0.196608D+01  0.676304D+01 -0.332900D+01 -0.132958D+01  0.201041D+01
                21            22            23            24            25 
      1  -0.201117D+01  0.584193D+01  0.107887D+02  0.576870D+01 -0.157316D+01
      2   0.205388D+01  0.450631D+00 -0.161701D+02 -0.867053D+01  0.159728D+01
      3  -0.427128D-01 -0.629256D+01  0.538138D+01  0.290183D+01 -0.241222D-01
      4  -0.390237D+01  0.168082D+02  0.105879D+02  0.258797D+00  0.124685D+01
      5  -0.548266D+01  0.764647D+00  0.734913D+00  0.328403D+01  0.223637D+01
      6  -0.582446D+01  0.301616D+01 -0.127058D+02  0.446901D+01  0.350599D-01
                26            27            28            29            30 
      1   0.439620D+01 -0.146956D+02 -0.214001D+02  0.859601D+01  0.278936D+01
      2  -0.109105D+02  0.509933D+00  0.128327D+02 -0.452705D+01  0.180131D+00
      3   0.651432D+01  0.141857D+02  0.856738D+01 -0.406895D+01 -0.296949D+01
      4   0.320517D+01  0.947004D+01 -0.116358D+02  0.938899D+01  0.715769D+00
      5   0.849935D+01  0.755668D+01  0.392400D+01 -0.128489D+01 -0.220259D+01
      6   0.141046D+02  0.544929D+01 -0.296624D+01 -0.227477D+00 -0.226199D+01
                31            32            33            34            35 
      1  -0.168597D+01 -0.291630D+01 -0.328235D+00  0.777544D+01 -0.144270D+01
      2   0.673859D+01  0.901907D+01  0.192617D+01 -0.442420D+00 -0.156280D+00
      3  -0.505262D+01 -0.610277D+01 -0.159794D+01 -0.733302D+01  0.159898D+01
      4  -0.361051D+01  0.892690D+01  0.899721D+00 -0.442354D+01  0.108488D+01
      5  -0.258301D+01 -0.574581D+00 -0.266789D+00  0.419431D+01 -0.885536D+00
      6   0.506337D+01  0.250752D+01  0.202958D+01 -0.176236D+01  0.651617D+01
                36            37            38            39            40 
      1  -0.891701D+01 -0.164991D+02 -0.242607D+02 -0.473654D+01 -0.825888D+01
      2  -0.300461D+01  0.124112D+02  0.168939D+02  0.276318D+01 -0.756727D+00
      3   0.119216D+02  0.408798D+01  0.736682D+01  0.197337D+01  0.901561D+01
      4  -0.338467D+01 -0.442065D+01 -0.377976D+01  0.204858D+01  0.475759D+01
      5   0.775604D+00 -0.901323D+00  0.225403D+01 -0.180402D+01  0.447265D+01
      6  -0.424931D+00  0.610127D+01  0.370908D+01  0.253189D+01 -0.590111D+01
                41            42            43            44            45 
      1  -0.896461D+01  0.329210D+01 -0.474684D+00  0.594606D+01 -0.108731D+02
      2   0.966426D+01  0.397836D+00 -0.113664D+01 -0.459610D+01  0.104381D+01
      3  -0.699650D+00 -0.368994D+01  0.161132D+01 -0.134997D+01  0.982925D+01
      4  -0.678965D+01 -0.204710D+01  0.179284D+01 -0.134649D+00 -0.150102D+01
      5  -0.161115D+01 -0.246619D+01  0.448422D+01 -0.289038D+01  0.273119D+00
      6  -0.244341D+00  0.220413D+01  0.106762D+01  0.894283D+01 -0.138167D+01
                46            47            48            49            50 
      1   0.157745D+02  0.154273D+02 -0.151971D+01 -0.181402D+02  0.141373D+02
      2  -0.134443D+02 -0.104962D+02 -0.994800D+00  0.157000D+02 -0.204134D+02
      3  -0.233012D+01 -0.493106D+01  0.251451D+01  0.244017D+01  0.627608D+01
      4   0.615414D+01 -0.158023D+02 -0.536507D+01  0.123034D+02 -0.184391D+01
      5   0.320115D+01 -0.443590D+01 -0.447270D+01  0.102355D+01  0.466599D+01
      6  -0.631997D+01  0.175468D+01  0.820540D+00  0.376148D+01 -0.115362D+02
                51            52            53            54            55 
      1   0.389194D+01 -0.601572D+01 -0.907680D+00 -0.736309D+01  0.206817D+02
      2  -0.739725D+01  0.783031D+01 -0.726000D+01 -0.421120D+01 -0.100687D+02
      3   0.350531D+01 -0.181459D+01  0.816768D+01  0.115743D+02 -0.106130D+02
      4   0.483446D+01 -0.270314D+01  0.101697D+02 -0.135540D+02  0.108344D+02
      5  -0.958715D+01  0.865787D+01 -0.129270D+02 -0.695080D+01 -0.108633D+01
      6   0.536365D+01 -0.462028D+01  0.128137D+02  0.266837D+01  0.266384D+01
                56            57            58            59            60 
      1  -0.525695D+01  0.342922D+01 -0.444554D+01 -0.492507D+01  0.387324D+01
      2   0.287690D+01 -0.186473D+01 -0.460427D+00  0.440374D+01 -0.413764D+01
      3   0.238005D+01 -0.156448D+01  0.490597D+01  0.521330D+00  0.264397D+00
      4  -0.107220D+02  0.203236D+01 -0.224985D+02 -0.515038D+01  0.613388D+01
      5   0.264527D+01 -0.926751D+01  0.461228D+01  0.743615D+01  0.144242D+02
      6  -0.137712D+01  0.750394D+01  0.305491D+01 -0.477080D+01 -0.126007D+02
                61            62            63            64            65 
      1  -0.564518D+01  0.611325D+01  0.228275D+01 -0.347631D+02 -0.121360D+02
      2  -0.536718D+00  0.831113D+00 -0.168414D+01  0.116460D+02  0.897897D+01
      3   0.618190D+01 -0.694436D+01 -0.598610D+00  0.231171D+02  0.315707D+01
      4   0.102753D+02 -0.534213D+00  0.220146D+02 -0.156473D+02  0.449696D+00
      5  -0.220861D+02  0.199271D+02  0.665488D+01 -0.102857D+02  0.212356D-01
      6   0.173919D+02 -0.151584D+02 -0.954024D+01 -0.345894D+01  0.400773D+00
                66            67            68            69            70 
      1  -0.108536D+02 -0.100092D+02  0.587992D+01  0.359903D-02 -0.205695D+02
      2   0.655744D+01  0.891925D+01  0.141643D+01 -0.605101D+01  0.836493D+01
      3   0.429619D+01  0.108998D+01 -0.729634D+01  0.604741D+01  0.122046D+02
      4  -0.287283D+01  0.388235D+01  0.125002D+02 -0.369946D+01 -0.688223D+01
      5   0.256370D+01  0.209702D+01 -0.600832D+01 -0.622272D+01 -0.112845D+01
      6   0.951111D-01 -0.216904D+01 -0.192723D+01 -0.323722D+01 -0.345436D+01
                71            72            73            74            75 
      1  -0.227753D+01  0.616663D+01  0.487879D+01  0.104273D+02  0.752955D+01
      2  -0.870436D+01  0.121975D+02  0.252878D+01 -0.395130D+01 -0.650049D+01
      3   0.109819D+02 -0.183641D+02 -0.740758D+01 -0.647597D+01 -0.102906D+01
      4   0.168952D+01 -0.111496D+02  0.267355D+01  0.115548D+01 -0.256772D+01
      5  -0.100860D+02  0.241771D+02 -0.101461D+00 -0.414674D+01 -0.594473D+01
      6  -0.873610D+00  0.168979D+02 -0.384231D+01 -0.794402D+01 -0.681309D+01
                76            77            78            79            80 
      1   0.204541D+02  0.263298D+02 -0.728728D+01  0.137156D+02 -0.652516D+01
      2  -0.177237D+02 -0.389169D+02  0.130137D+02 -0.601770D+01  0.191764D+02
      3  -0.273038D+01  0.125871D+02 -0.572644D+01 -0.769793D+01 -0.126513D+02
      4  -0.285022D+01 -0.102463D+02  0.151074D+01 -0.599445D+01 -0.168861D+01
      5  -0.658705D+01  0.217330D+01 -0.177075D+01 -0.108455D+02 -0.913121D+01
      6  -0.271916D+01  0.119762D+02 -0.555607D+01 -0.155297D+02 -0.174334D+02
                81            82            83            84            85 
      1   0.119827D+02  0.392912D+02  0.200189D+02  0.221672D+01  0.166181D+02
      2  -0.732033D+01 -0.133233D+02 -0.310409D+01 -0.102934D+01  0.119642D+01
      3  -0.466233D+01 -0.259679D+02 -0.169149D+02 -0.118738D+01 -0.178145D+02
      4  -0.103583D+02  0.421093D+02  0.322951D+02  0.228408D+01  0.364849D+02
      5  -0.144903D+02  0.495811D+01  0.255157D+01  0.742463D+01  0.543549D+01
      6  -0.189649D+02  0.537984D+00  0.476122D+00  0.340848D+01  0.240631D+01
                86            87            88            89            90 
      1   0.103160D+02  0.152931D+01  0.543536D-01  0.237431D+00  0.515762D+00
      2   0.789270D+01 -0.586482D+00  0.134398D+01  0.139862D+01  0.339779D+00
      3  -0.182087D+02 -0.942829D+00 -0.139834D+01 -0.163605D+01 -0.855542D+00
      4   0.378547D+02  0.423799D+01  0.406308D+01  0.458213D+01  0.232551D+01
      5   0.497068D+01  0.556682D+01  0.197040D+01  0.115250D+01  0.691500D+00
      6   0.232129D+01  0.482681D+01  0.112398D+01  0.155340D+01  0.119401D+01
                91            92            93            94            95 
      1   0.914931D+02 -0.159711D+02 -0.944190D+01 -0.149652D+02  0.107798D+02
      2  -0.517548D+02  0.793223D+01  0.662136D+01  0.670586D+01 -0.439814D+01
      3  -0.397383D+02  0.803891D+01  0.282054D+01  0.825937D+01 -0.638169D+01
      4  -0.257134D+02  0.136175D+02  0.272304D+01  0.193281D+02 -0.931220D+01
      5  -0.146915D+02  0.260135D+01  0.118273D+02  0.537141D+01 -0.286923D+01
      6  -0.208918D-01 -0.707268D+00 -0.141154D+01 -0.162980D+01  0.650009D+00
                96            97            98            99           100 
      1   0.285894D+01 -0.114734D+02  0.354863D+01  0.319504D+01 -0.383671D+01
      2  -0.214949D+01  0.637673D+01 -0.194836D+01 -0.202799D+01  0.539264D+01
      3  -0.709452D+00  0.509670D+01 -0.160027D+01 -0.116704D+01 -0.155593D+01
      4  -0.270570D+01  0.605717D+01 -0.311282D+01 -0.179545D+01 -0.337493D+00
      5  -0.307526D+01  0.389348D+01 -0.838024D+00 -0.241758D+01  0.666327D-01
      6   0.222654D+01 -0.560781D+00  0.102639D+01  0.796601D+00  0.204483D+01
               101           102           103           104           105 
      1   0.726519D+01  0.251251D+01  0.408766D+01 -0.389976D+02 -0.922498D+01
      2  -0.755423D+01 -0.169956D+01 -0.396067D+01  0.530861D+02  0.899340D+01
      3   0.289038D+00 -0.812951D+00 -0.126987D+00 -0.140884D+02  0.231577D+00
      4   0.715396D+01  0.119302D+01  0.614509D+01  0.113221D+02  0.292132D+01
      5   0.951324D+00  0.146680D+01  0.106841D+01  0.370616D+01  0.199206D+01
      6  -0.313850D+01 -0.182982D+01 -0.843261D+00  0.160146D+02  0.108266D+02
               106           107           108           109           110 
      1   0.115175D+01 -0.899613D+01 -0.390021D+01  0.213481D+01 -0.246802D+01
      2  -0.108335D+01  0.109475D+02  0.401882D+01  0.314769D+01 -0.344846D+01
      3  -0.684068D-01 -0.195141D+01 -0.118614D+00 -0.528249D+01  0.591647D+01
      4   0.138561D+01  0.188591D+01 -0.633524D+00 -0.122549D+02  0.164755D+02
      5   0.871445D+00  0.406754D+00 -0.168143D+00 -0.278161D+01  0.350204D+01
      6  -0.303638D+00  0.626742D+01  0.397647D+01  0.244179D+01 -0.282863D+01
               111           112           113           114           115 
      1  -0.336490D+00  0.189554D+01 -0.238067D+02 -0.514281D+01  0.433141D-01
      2  -0.228455D+00 -0.929506D+01  0.425862D+02  0.594839D+01 -0.162076D+01
      3   0.564945D+00  0.739952D+01 -0.187795D+02 -0.805580D+00  0.157745D+01
      4   0.369374D+01  0.190966D+02 -0.417241D+02 -0.843215D+01  0.487307D+01
      5   0.354584D+01  0.381419D+01 -0.756695D+01 -0.562260D+01  0.173358D+01
      6  -0.220641D+01 -0.413946D+01  0.132891D+02  0.994943D+01 -0.174314D+01
               116           117           118           119           120 
      1  -0.419984D+01 -0.286378D+01  0.454052D+01 -0.187786D+01 -0.315318D+01
      2   0.720575D+01  0.342719D+01 -0.374619D+01  0.101959D+01  0.264416D+01
      3  -0.300592D+01 -0.563413D+00 -0.794325D+00  0.858274D+00  0.509020D+00
      4  -0.988331D+01 -0.274276D+01 -0.798823D+01  0.937862D+01  0.439390D+01
      5  -0.243720D+01 -0.174183D+01 -0.804221D+01  0.390408D+01  0.112690D+02
      6   0.551726D+01  0.380674D+01  0.533554D+01 -0.259605D+01 -0.418673D+01
               121           122           123           124           125 
      1   0.476257D+00 -0.610130D+01 -0.560979D+01 -0.980841D+00 -0.571199D+01
      2  -0.771654D+00  0.622579D+01  0.303048D+01  0.384772D+01  0.741132D+00
      3   0.295397D+00 -0.124497D+00  0.257931D+01 -0.286688D+01  0.497086D+01
      4   0.138325D+02 -0.140400D+02 -0.911491D+01  0.795263D+01 -0.104346D+02
      5   0.595034D+01 -0.918790D+01 -0.122918D+02  0.159755D+02 -0.120424D+02
      6  -0.566686D+01  0.126647D+02  0.146743D+02 -0.927187D+01  0.143370D+02
               126           127           128           129           130 
      1  -0.975100D+01 -0.530439D+02  0.218835D+02 -0.473494D+01  0.127855D+02
      2  -0.584893D+01  0.205238D+02 -0.186267D+02  0.808379D+00 -0.101616D+02
      3   0.155999D+02  0.325201D+02 -0.325679D+01  0.392656D+01 -0.262394D+01
      4  -0.123458D+02  0.278187D+02  0.616302D+01 -0.433102D+01  0.122147D+02
      5  -0.224064D+02 -0.635214D+01 -0.139193D+01  0.103123D+02 -0.449271D+01
      6   0.193248D+02 -0.203017D+01  0.757833D+01 -0.542475D+01  0.616579D+01
               131           132           133           134           135 
      1   0.227835D+02 -0.758820D+00  0.308716D+01 -0.207756D+01  0.721326D+01
      2  -0.243217D+02  0.154142D+02 -0.308461D+01  0.118654D+02  0.809496D+01
      3   0.153821D+01 -0.146553D+02 -0.254822D-02 -0.978783D+01 -0.153082D+02
      4   0.534852D+01 -0.488364D+01 -0.142576D+02  0.523917D+00 -0.212906D+02
      5  -0.783045D+00 -0.141745D+02  0.173556D+02 -0.179073D+02 -0.440173D+01
      6   0.909879D+01  0.483566D+01 -0.119518D+02  0.746609D+01 -0.376537D+01
               136           137           138           139           140 
      1   0.489980D+01  0.349333D+01 -0.395023D+01  0.164143D+01 -0.499960D+01
      2  -0.471835D+01 -0.231422D+01  0.229429D+01 -0.136403D+01  0.134983D+01
      3  -0.181453D+00 -0.117911D+01  0.165594D+01 -0.277398D+00  0.364977D+01
      4   0.397831D+01  0.143019D+01 -0.290249D+01  0.455980D+01  0.377870D+01
      5  -0.496148D+01 -0.246701D+01  0.649440D+01 -0.336391D+01 -0.515858D+01
      6  -0.261140D+01 -0.423775D+00 -0.149835D+00 -0.226793D+01 -0.625518D+01
               141           142           143           144           145 
      1   0.348438D+01 -0.409333D+01  0.451429D+01 -0.133715D+02  0.659202D+02
      2  -0.160661D+00  0.842501D+01  0.178356D+01 -0.198313D+02 -0.319456D+02
      3  -0.332372D+01 -0.433168D+01 -0.629785D+01  0.332028D+02 -0.339746D+02
      4  -0.605218D+01 -0.639209D+01 -0.973275D+01  0.120855D+02  0.256921D+02
      5   0.661760D+01  0.160992D+02  0.109267D+02 -0.374304D+02  0.164260D+01
      6   0.108824D+02  0.628884D+01  0.106963D+02 -0.219674D+02  0.749647D+00
               146           147           148           149           150 
      1   0.965224D+01  0.575431D+01  0.530045D+01  0.545613D+01  0.119707D+00
      2  -0.269898D+01 -0.181684D+01 -0.111040D+00 -0.250954D+00  0.126131D+01
      3  -0.695326D+01 -0.393747D+01 -0.518941D+01 -0.520518D+01 -0.138102D+01
      4   0.150694D+02  0.119696D+01  0.124082D+02  0.519948D+01  0.182248D+01
      5  -0.587894D+00  0.968984D+01 -0.246725D+00  0.151360D+01  0.162049D+01
      6  -0.316416D+00  0.266006D+01 -0.344364D+00  0.811167D+00  0.216888D+01
               151           152           153           154           155 
      1   0.158423D+02  0.222675D+01  0.547325D+01 -0.304488D+00  0.512458D+01
      2  -0.767544D+01  0.113021D+01 -0.504017D+01  0.311553D+01 -0.589652D+01
      3  -0.816690D+01 -0.335696D+01 -0.433080D+00 -0.281104D+01  0.771941D+00
      4   0.706408D+01  0.489837D+01  0.420133D+01  0.129490D+01  0.802311D+01
      5   0.100441D+02  0.292013D+01  0.237629D+01 -0.476078D+00 -0.655469D+00
      6   0.272151D+01  0.193979D+01 -0.232558D+00 -0.251128D+01  0.118217D+01
               156           157           158           159           160 
      1  -0.204490D+01 -0.432660D+01 -0.398644D+02  0.710402D+01 -0.125267D+01
      2   0.143475D+01  0.799811D+01  0.646805D+02 -0.111226D+02 -0.141170D+01
      3   0.610156D+00 -0.367151D+01 -0.248161D+02  0.401861D+01  0.266437D+01
      4  -0.166863D+01  0.104013D+02  0.181870D+02 -0.288428D+01 -0.374654D+01
      5   0.288561D+01 -0.135037D+01 -0.255184D+01  0.286565D+01  0.378266D+01
      6   0.702099D-01 -0.229497D+01 -0.151767D+02  0.105989D+02  0.452082D+01
               161           162           163           164           165 
      1   0.133512D+02 -0.847821D+01  0.203627D+01 -0.112323D+01 -0.662407D-01
      2  -0.203031D+02  0.871277D+01 -0.353935D+01  0.137000D+01  0.129922D+00
      3   0.695196D+01 -0.234560D+00  0.150307D+01 -0.246773D+00 -0.636816D-01
      4  -0.592115D+01  0.403336D+01  0.717595D+01  0.696807D+01  0.608997D+01
      5   0.403904D+01 -0.360828D+00  0.692947D+01  0.474139D+01  0.100360D+02
      6   0.152436D+02 -0.631598D+01  0.648410D+01  0.439059D+01  0.678823D+01
               166           167           168           169           170 
      1  -0.436813D+01 -0.111583D+02 -0.479448D+01 -0.410029D+01 -0.116120D+02
      2   0.575974D+01  0.130789D+02  0.384090D+01  0.334891D-01  0.727659D+01
      3  -0.139161D+01 -0.192066D+01  0.953584D+00  0.406680D+01  0.433540D+01
      4   0.517148D+01  0.781104D+01  0.479633D+01  0.121988D+02  0.107646D+02
      5   0.261599D+01  0.480199D+01  0.408957D+01  0.135817D+02  0.115964D+02
      6   0.415095D+01  0.746133D+01  0.928849D+01  0.133295D+02  0.200828D+02
               171           172           173           174           175 
      1  -0.174592D+02  0.374474D+01 -0.123258D+01  0.525116D+01  0.327638D+01
      2   0.126537D+01 -0.360176D+01  0.188277D+01 -0.557318D-01 -0.246898D+01
      3   0.161939D+02 -0.142987D+00 -0.650184D+00 -0.519543D+01 -0.807402D+00
      4   0.111920D+02 -0.697508D+00 -0.147398D+01 -0.576995D+00 -0.173802D+01
      5   0.203449D+02  0.208660D+01  0.109639D+01  0.158834D+00  0.473550D+01
      6   0.297035D+02  0.388498D+00 -0.168347D+01  0.198838D+01 -0.699296D+00
               176           177           178           179           180 
      1  -0.465192D+01 -0.310929D+01  0.544162D+01 -0.131542D+01 -0.131800D+02
      2   0.532241D-01 -0.905553D+01 -0.366297D+01 -0.713911D+01 -0.175894D+02
      3   0.459869D+01  0.121648D+02 -0.177865D+01  0.845453D+01  0.307694D+02
      4   0.596362D+01  0.526857D+01 -0.221452D+01  0.781075D+01  0.713121D+01
      5   0.362427D+01  0.118229D+02  0.712687D+01  0.443758D+01  0.232955D+02
      6   0.198389D+01  0.468458D+00 -0.535681D+00  0.402060D+01 -0.554835D+01
               181           182           183           184           185 
      1   0.765187D+02 -0.132952D+02  0.187234D+01 -0.514532D+01  0.364272D+01
      2  -0.349652D+02  0.225282D+01 -0.330540D+01 -0.650203D+00  0.206976D+01
      3  -0.415535D+02  0.110424D+02  0.143306D+01  0.579552D+01 -0.571248D+01
      4  -0.420135D+02  0.204010D+02 -0.300982D+01  0.139264D+02 -0.909936D+01
      5   0.184884D+02 -0.470293D+01  0.123483D+02 -0.114533D+01  0.159717D+01
      6  -0.337249D+01  0.315565D+01 -0.511232D+01  0.112861D+01 -0.197065D+01
               186           187           188           189           190 
      1   0.160740D+00 -0.603866D+01  0.847765D+00  0.486877D+01 -0.974810D-01
      2  -0.114626D+01  0.104349D+01 -0.112337D+00 -0.447047D+01  0.332361D+01
      3   0.985516D+00  0.499516D+01 -0.735428D+00 -0.398306D+00 -0.322612D+01
      4   0.966170D+00  0.424117D+01 -0.227179D+01 -0.165329D+01 -0.851988D+00
      5  -0.141962D+00  0.852231D+01 -0.633053D+00  0.567763D+00 -0.942823D+00
      6   0.152878D+01 -0.306061D+01  0.132198D+01  0.376721D+00 -0.109966D+01
               191           192           193           194           195 
      1  -0.122028D+02  0.413284D+01 -0.900832D+01 -0.300686D+02  0.795025D+01
      2   0.137227D+02 -0.228874D+01  0.573536D+01  0.433783D+02 -0.759162D+01
      3  -0.151991D+01 -0.184410D+01  0.327296D+01 -0.133098D+02 -0.358625D+00
      4  -0.216748D+01  0.133290D+01  0.685960D+01 -0.249037D+02  0.647345D+01
      5  -0.215296D+00 -0.213214D+01 -0.369182D+01  0.428259D+01 -0.440387D+01
      6  -0.615037D+01  0.454199D+01 -0.698741D+00 -0.187296D+02  0.115407D+02
               196           197           198 
      1   0.799613D+00  0.568821D+01 -0.689217D+01
      2  -0.409395D+00 -0.486241D+01  0.341091D+01
      3  -0.390217D+00 -0.825794D+00  0.348126D+01
      4   0.738376D+00  0.345718D+01 -0.136264D+01
      5   0.100165D+01 -0.197705D+01  0.294829D+01
      6   0.162625D+01  0.937129D+01 -0.493044D+01
 Leave Link  716 at Fri Jul 16 20:44:38 2021, MaxMem=  5637144576 cpu:               4.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.148792D+03  0.171995D+01 -0.229890D+01
      2   0.171995D+01  0.126372D+03  0.520435D+01
      3  -0.229890D+01  0.520435D+01  0.852660D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.300693D+01 -0.201279D+01  0.284104D+01
      2   0.101216D+02 -0.148453D+02  0.132859D+02
      3   0.128450D+01  0.339600D+02  0.119624D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.813396D+02 -0.126370D+02  0.801334D+01
      2   0.381746D+02  0.511849D+01 -0.567126D+01
      3   0.431651D+02  0.751854D+01 -0.234208D+01
      4  -0.220163D+02 -0.360699D+02 -0.315275D+02
      5   0.220840D+02 -0.317598D+02  0.369570D+02
      6  -0.140245D+02  0.746611D+01 -0.296151D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.101804D+01 -0.154615D+01 -0.708937D+00 -0.483122D+01  0.402637D+00
      2  -0.154615D+01 -0.244562D+01 -0.686599D+00  0.402637D+00 -0.228344D+01
      3  -0.708937D+00 -0.686599D+00 -0.211501D+01  0.113941D+01  0.957864D+00
                 6             7             8             9            10 
      1   0.113941D+01 -0.164643D+01  0.763400D+00 -0.393217D+01 -0.473095D+01
      2   0.957864D+00  0.763400D+00  0.138891D+01 -0.314913D+01  0.132721D+01
      3  -0.200063D+01 -0.393217D+01 -0.314913D+01 -0.953629D+00 -0.499561D+00
                11            12            13            14            15 
      1   0.132721D+01 -0.499561D+00  0.234523D+01  0.187511D+01  0.134565D+01
      2  -0.263748D+01  0.271687D-01  0.187511D+01  0.202300D+01 -0.600048D+00
      3   0.271687D-01 -0.258216D+01  0.134565D+01 -0.600048D+00  0.629146D+00
                16            17            18            19            20 
      1   0.627537D-01  0.146102D+01 -0.509786D+01 -0.974671D+00  0.390148D+01
      2   0.146102D+01  0.279760D+00  0.113733D+01  0.390148D+01  0.122448D+01
      3  -0.509786D+01  0.113733D+01  0.173763D+01  0.625059D+00 -0.340206D+00
                21            22            23            24            25 
      1   0.625059D+00 -0.532983D+01  0.637345D+00 -0.149567D+00 -0.834449D+00
      2  -0.340206D+00  0.637345D+00 -0.197857D+01  0.106820D+01 -0.113149D+01
      3   0.693970D+00 -0.149567D+00  0.106820D+01 -0.163753D+01 -0.297414D+00
                26            27            28            29            30 
      1  -0.113149D+01 -0.297414D+00  0.145758D+02 -0.421104D+01 -0.340108D+00
      2   0.114253D+01 -0.355708D+01 -0.421104D+01  0.455013D+01  0.223245D+00
      3  -0.355708D+01 -0.253985D+01 -0.340108D+00  0.223245D+00  0.174179D+01
                31            32            33            34            35 
      1  -0.870540D+01 -0.174326D+01 -0.529000D+00 -0.179402D+01 -0.120591D+01
      2  -0.174326D+01 -0.539695D+00 -0.169494D-01 -0.120591D+01 -0.486516D+00
      3  -0.529000D+00 -0.169494D-01 -0.147430D+00  0.326904D+01 -0.152538D+01
                36            37            38            39            40 
      1   0.326904D+01  0.345957D+01  0.415823D+01  0.833427D+00  0.127974D+02
      2  -0.152538D+01  0.415823D+01  0.650922D+01  0.129909D+01  0.326647D+01
      3  -0.156519D+01  0.833427D+00  0.129909D+01  0.175135D+01  0.918314D-01
                41            42            43            44            45 
      1   0.326647D+01  0.918314D-01  0.279180D+01  0.313762D+00  0.222620D+01
      2   0.522802D+01 -0.370142D+00  0.313762D+00 -0.110909D+01  0.241859D+01
      3  -0.370142D+00  0.948290D+00  0.222620D+01  0.241859D+01  0.584591D+00
                46            47            48            49            50 
      1   0.122538D+01 -0.344186D+01 -0.419046D+00  0.507376D+01 -0.632147D+00
      2  -0.344186D+01 -0.262876D+01  0.419167D+00 -0.632147D+00  0.107294D+01
      3  -0.419046D+00  0.419167D+00  0.190125D+00  0.172126D+00 -0.905409D+00
                51            52            53            54            55 
      1   0.172126D+00  0.523891D+00  0.110290D+01 -0.174572D+01 -0.358801D+01
      2  -0.905409D+00  0.110290D+01 -0.836869D+00  0.347495D+01  0.300902D+01
      3   0.193507D+01 -0.174572D+01  0.347495D+01  0.222790D+01 -0.117667D-01
                56            57            58            59            60 
      1   0.300902D+01 -0.117667D-01  0.443644D+01 -0.409683D+01  0.492322D+00
      2  -0.281816D+01  0.645237D+00 -0.409683D+01 -0.150735D+01  0.172844D+01
      3   0.645237D+00 -0.216488D+01  0.492322D+00  0.172844D+01  0.322817D+01
                61            62            63            64            65 
      1  -0.205032D+01  0.103606D+01 -0.421189D+01 -0.631988D+01 -0.189757D+01
      2   0.103606D+01  0.802605D+00  0.427070D+01 -0.189757D+01  0.154963D+01
      3  -0.421189D+01  0.427070D+01  0.191809D+01 -0.214930D+01  0.173248D+00
                66            67            68            69            70 
      1  -0.214930D+01 -0.171423D+01  0.131230D+01  0.298048D+00 -0.374155D+01
      2   0.173248D+00  0.131230D+01  0.264235D+01 -0.119470D+01 -0.963036D-01
      3   0.399133D+00  0.298048D+00 -0.119470D+01 -0.141100D+01 -0.460955D+00
                71            72            73            74            75 
      1  -0.963036D-01 -0.460955D+00 -0.244230D+01 -0.910079D+00 -0.432921D+00
      2  -0.179786D+00 -0.226851D+01 -0.910079D+00 -0.218982D+01 -0.173429D+01
      3  -0.226851D+01  0.576837D+01 -0.432921D+00 -0.173429D+01 -0.168758D+01
                76            77            78            79            80 
      1  -0.134197D+01 -0.380264D+01 -0.128920D+01 -0.203267D+01 -0.269404D+01
      2  -0.380264D+01 -0.806091D+01  0.153923D+01 -0.269404D+01  0.155350D+01
      3  -0.128920D+01  0.153923D+01 -0.116917D+01 -0.319181D+01 -0.315665D+01
                81            82            83            84            85 
      1  -0.319181D+01 -0.737824D+01 -0.447249D+01 -0.395641D+00 -0.448771D+01
      2  -0.315665D+01 -0.447249D+01 -0.346715D+01 -0.228099D+00 -0.434302D+01
      3  -0.447206D+01 -0.395641D+00 -0.228099D+00 -0.736225D+00 -0.662887D+00
                86            87            88            89            90 
      1  -0.434302D+01 -0.662887D+00 -0.272345D+00 -0.511367D+00 -0.178992D-01
      2  -0.500058D+01 -0.594268D+00 -0.511367D+00 -0.852500D+00 -0.674973D-01
      3  -0.594268D+00 -0.742820D+00 -0.178992D-01 -0.674973D-01 -0.961430D-01
                91            92            93            94            95 
      1  -0.126554D+02  0.238741D+01  0.153601D+01  0.249619D+01 -0.205035D+01
      2   0.238741D+01 -0.128215D+01 -0.283230D+00 -0.205035D+01  0.105256D+01
      3   0.153601D+01 -0.283230D+00 -0.114169D+01 -0.653797D+00  0.325965D+00
                96            97            98            99           100 
      1  -0.653797D+00  0.164509D+01 -0.640203D+00 -0.172657D+00  0.546244D+00
      2   0.325965D+00 -0.640203D+00  0.288956D+00  0.844201D-01 -0.132724D+01
      3   0.369296D+00 -0.172657D+00  0.844201D-01  0.211243D+00 -0.321888D+00
               101           102           103           104           105 
      1  -0.132724D+01 -0.321888D+00 -0.106018D+01  0.748145D+00  0.136242D+00
      2   0.135550D+01  0.443770D+00  0.748145D+00 -0.988425D+01 -0.216629D+01
      3   0.443770D+00  0.271235D+00  0.136242D+00 -0.216629D+01 -0.146966D+01
               106           107           108           109           110 
      1  -0.348769D+00  0.430005D+00  0.202692D-01 -0.139568D+01  0.185242D+01
      2   0.430005D+00 -0.235251D+01 -0.604133D+00  0.185242D+01 -0.193903D+01
      3   0.202692D-01 -0.604133D+00 -0.402980D+00  0.467729D+00 -0.501159D+00
               111           112           113           114           115 
      1   0.467729D+00  0.180987D+01 -0.288996D+01 -0.640934D+00  0.508561D+00
      2  -0.501159D+00 -0.288996D+01  0.975801D+01  0.199765D+01 -0.800182D+00
      3  -0.411777D+00 -0.640934D+00  0.199765D+01  0.139671D+01 -0.269484D+00
               116           117           118           119           120 
      1  -0.800182D+00 -0.269484D+00  0.198326D+01 -0.138541D+01 -0.137733D+01
      2   0.209831D+01  0.535255D+00 -0.138541D+01  0.106712D+01  0.409126D+00
      3   0.535255D+00  0.391945D+00 -0.137733D+01  0.409126D+00  0.140593D+01
               121           122           123           124           125 
      1  -0.321763D+01  0.229662D+01  0.952736D+00 -0.255658D+01  0.124525D+01
      2   0.229662D+01 -0.317504D+01 -0.216941D+01  0.124525D+01 -0.251403D+01
      3   0.952736D+00 -0.216941D+01 -0.292271D+01  0.258886D+01 -0.288314D+01
               126           127           128           129           130 
      1   0.258886D+01 -0.838501D+01  0.177748D+01  0.616409D+00 -0.130944D+01
      2  -0.288314D+01  0.177748D+01  0.269879D+01 -0.116483D+01  0.307547D+01
      3  -0.540739D+01  0.616409D+00 -0.116483D+01  0.196207D+01 -0.127700D+01
               131           132           133           134           135 
      1   0.307547D+01 -0.127700D+01  0.513329D+01 -0.231678D+01  0.285948D+01
      2   0.351664D+01 -0.151449D+01 -0.231678D+01 -0.215275D+00 -0.345727D+01
      3  -0.151449D+01 -0.302605D+01  0.285948D+01 -0.345727D+01 -0.197169D+01
               136           137           138           139           140 
      1   0.112563D+01  0.539933D+00 -0.932142D+00  0.588191D+00  0.412814D+00
      2   0.539933D+00 -0.149334D+00 -0.193875D+00  0.412814D+00  0.883952D+00
      3  -0.932142D+00 -0.193875D+00  0.175569D+00 -0.504309D+00 -0.122209D+01
               141           142           143           144           145 
      1  -0.504309D+00 -0.166544D+01 -0.624553D+00  0.227034D+01  0.108149D+02
      2  -0.122209D+01 -0.624553D+00 -0.197035D+01  0.246114D+01  0.204833D+01
      3   0.161553D+01  0.227034D+01  0.246114D+01 -0.864351D+01  0.867291D+00
               146           147           148           149           150 
      1   0.204833D+01  0.867291D+00  0.132870D+01  0.128679D+01  0.107240D-01
      2   0.151910D+01 -0.626665D-01  0.128679D+01  0.497328D+00  0.280916D+00
      3  -0.626665D-01  0.124684D+01  0.107240D-01  0.280916D+00  0.324335D+00
               151           152           153           154           155 
      1   0.324274D+01  0.575570D+00  0.145345D+01 -0.120204D+00  0.870165D+00
      2   0.575570D+00  0.712520D+00  0.506542D+00  0.870165D+00 -0.834480D+00
      3   0.145345D+01  0.506542D+00  0.623411D-01 -0.338845D+00  0.196490D+00
               156           157           158           159           160 
      1  -0.338845D+00  0.209128D+01  0.195304D+01 -0.192892D+00 -0.486040D+00
      2   0.196490D+00  0.195304D+01  0.107213D+02 -0.185187D+01 -0.149331D+00
      3   0.114353D+00 -0.192892D+00 -0.185187D+01  0.136921D+01  0.753354D+00
               161           162           163           164           165 
      1  -0.149331D+00  0.753354D+00  0.226565D+01  0.109345D+01  0.150095D+01
      2  -0.343936D+01  0.212931D+01  0.109345D+01  0.876923D+00  0.834986D+00
      3   0.212931D+01 -0.670130D+00  0.150095D+01  0.834986D+00  0.146284D+01
               166           167           168           169           170 
      1   0.799235D+00  0.165306D+01  0.697793D+00  0.410672D+01  0.253256D+01
      2   0.165306D+01  0.291090D+01  0.143004D+01  0.253256D+01  0.334865D+01
      3   0.697793D+00  0.143004D+01  0.119443D+01  0.285338D+01  0.344699D+01
               171           172           173           174           175 
      1   0.285338D+01  0.413831D+00  0.253720D+00  0.515727D+00  0.114645D+01
      2   0.344699D+01  0.253720D+00 -0.602817D+00  0.128626D+00 -0.430838D+00
      3   0.669397D+01  0.515727D+00  0.128626D+00 -0.981950D+00  0.525239D+00
               176           177           178           179           180 
      1  -0.430838D+00  0.525239D+00  0.115913D+01 -0.336191D-01  0.463145D+00
      2   0.104292D+01  0.106725D+01 -0.336191D-01  0.161801D+01  0.109044D+01
      3   0.106725D+01  0.281754D+01  0.463145D+00  0.109044D+01  0.605704D+01
               181           182           183           184           185 
      1   0.128738D+02 -0.312749D+01  0.962626D+00 -0.126256D+01  0.128399D+01
      2  -0.312749D+01  0.185918D+01 -0.413697D+00  0.128399D+01 -0.121583D+01
      3   0.962626D+00 -0.413697D+00  0.138681D+01  0.702977D-01  0.222559D+00
               186           187           188           189           190 
      1   0.702977D-01 -0.147055D+01  0.498172D+00  0.875559D+00 -0.275733D+00
      2   0.222559D+00  0.498172D+00 -0.411293D+00  0.462963D-01 -0.899496D+00
      3   0.153173D+00  0.875559D+00  0.462963D-01  0.449615D-01  0.224803D-02
               191           192           193           194           195 
      1  -0.899496D+00  0.224803D-02 -0.165258D+01 -0.214760D+00 -0.328383D-01
      2  -0.221525D+01  0.808505D+00 -0.214760D+00 -0.770422D+01  0.198755D+01
      3   0.808505D+00 -0.980745D+00 -0.328383D-01  0.198755D+01 -0.145391D+01
               196           197           198 
      1  -0.274811D+00  0.245092D+00 -0.235227D+00
      2   0.245092D+00  0.113383D+01 -0.933164D+00
      3  -0.235227D+00 -0.933164D+00  0.102449D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.199449D+01  0.819866D+00 -0.387990D+01  0.273116D+01 -0.685926D+00
      2   0.242175D+01  0.166871D+01  0.434373D+01 -0.248160D+01 -0.270670D+01
      3  -0.641154D+01 -0.103619D+02 -0.111835D+01  0.846048D+01 -0.393243D+01
                 6             7             8             9            10 
      1  -0.811811D+00 -0.802371D+01  0.500236D+01  0.205104D+01  0.632924D+00
      2   0.611168D+01 -0.154763D+00  0.107345D+02  0.370737D+01 -0.803394D+00
      3   0.131186D+01  0.292297D+01  0.326354D+01 -0.474332D+01  0.483916D+01
                11            12            13            14            15 
      1   0.425292D+00  0.194113D+01 -0.959775D-01 -0.267555D+01  0.208821D+01
      2  -0.117429D+00  0.763104D+01 -0.381624D+01  0.640080D+00 -0.235988D+01
      3  -0.889602D+01 -0.348390D+00  0.109143D+02  0.434736D+01 -0.177187D+01
                16            17            18            19            20 
      1   0.455385D+01  0.108163D+02  0.219761D+01  0.104932D+01 -0.125144D+01
      2   0.746636D+01 -0.513749D+01 -0.444682D+01 -0.502723D+01  0.310046D+01
      3   0.345623D+01 -0.119019D+01  0.208697D+01  0.899559D+01 -0.630109D+01
                21            22            23            24            25 
      1   0.282562D+01 -0.670961D+00  0.971287D+00 -0.326442D+01  0.341307D+01
      2  -0.141021D+01  0.159196D+01  0.603469D+00  0.241648D+01 -0.139562D+02
      3  -0.365339D+01  0.575333D+01 -0.740804D+01  0.189724D+00 -0.375099D+01
                26            27            28            29            30 
      1   0.276837D+00 -0.122621D+01  0.356777D-01  0.253211D+00  0.193486D+01
      2   0.321272D+01  0.348442D+01  0.267035D+01 -0.362026D+01 -0.220806D+01
      3   0.100721D+01 -0.553229D+01 -0.618418D+01  0.134430D+02  0.195314D+01
                31            32            33            34            35 
      1   0.229002D+00 -0.349830D+01 -0.119320D+01  0.400812D+01  0.997025D+01
      2  -0.170246D+01  0.859972D+00  0.412706D+00 -0.143582D+02 -0.623379D+00
      3   0.118854D+02 -0.102151D+02  0.132454D+01 -0.533312D+00 -0.161332D+01
                36            37            38            39            40 
      1   0.814251D+00 -0.185462D+01 -0.207789D+00 -0.135616D+01  0.724108D+00
      2   0.883771D+00 -0.247999D+00 -0.471248D-01 -0.199934D+01  0.385348D+01
      3  -0.243986D+01 -0.239948D+01  0.104219D+02  0.254061D+01  0.127929D+02
                41            42            43            44            45 
      1  -0.415159D+00 -0.351909D+00 -0.404821D+01  0.748595D+01  0.152195D+01
      2  -0.303505D+01 -0.162138D+01 -0.142535D+02 -0.806785D+00 -0.929228D-01
      3   0.194247D+02  0.146082D+01 -0.870554D+00  0.324490D+01  0.463986D+01
                46            47            48            49            50 
      1   0.648360D+00 -0.934658D+00 -0.108531D+01 -0.616723D+00 -0.303119D-01
      2   0.511387D+00  0.204710D+01 -0.814156D+00  0.221996D+01  0.234872D+01
      3  -0.460597D+01 -0.150380D+02 -0.198441D+01  0.477145D-01  0.373175D+01
                51            52            53            54            55 
      1  -0.332356D+01  0.254846D+01  0.971696D+00 -0.791508D+00 -0.168530D+01
      2  -0.519256D+01 -0.106659D+02 -0.853698D+01 -0.338726D+01 -0.377576D+00
      3  -0.155878D+01 -0.203426D+01 -0.213117D+01  0.538023D+01  0.177429D-01
                56            57            58            59            60 
      1   0.415279D+00 -0.271723D+01 -0.174720D+00  0.476460D+01  0.278957D+00
      2   0.279358D+01 -0.551423D+00  0.372879D+01  0.618621D+00  0.585572D+01
      3  -0.471887D+01  0.928350D+00  0.903766D+01  0.116698D+02 -0.479562D+01
                61            62            63            64            65 
      1  -0.574667D+01  0.683837D+01  0.618274D+00  0.402039D+01 -0.187030D+01
      2  -0.138034D+02  0.900143D+01  0.170647D+01 -0.123497D+02 -0.848427D+00
      3   0.216634D+01 -0.532620D+01 -0.442300D+01  0.361607D-01 -0.100279D+02
                66            67            68            69            70 
      1  -0.583207D+00 -0.495322D+00 -0.242971D+01  0.129966D+01  0.109161D+01
      2   0.122885D+01  0.296226D+00 -0.450524D+00 -0.395264D+01 -0.896190D+01
      3  -0.337246D+01 -0.615562D+01 -0.675516D+01  0.459462D+01 -0.605373D+01
                71            72            73            74            75 
      1   0.537860D+01 -0.445455D+01  0.168681D+01  0.468232D+01  0.349907D+01
      2  -0.704631D+01  0.131468D+02  0.128783D+00 -0.130513D+01  0.334664D+00
      3   0.327211D+01  0.508704D+01 -0.411706D+01 -0.440163D+01  0.812185D+00
                76            77            78            79            80 
      1   0.171508D+01 -0.870229D+01  0.714345D+00  0.987033D+01  0.127635D+02
      2  -0.155004D+01  0.268166D+01  0.323778D+00 -0.761077D+01 -0.243174D+01
      3   0.104713D+02 -0.113717D+01 -0.722486D+01 -0.598128D+00 -0.131383D+02
                81            82            83            84            85 
      1   0.972250D+01  0.233935D+00  0.514152D+00 -0.252113D+01 -0.431303D+00
      2  -0.312623D+01 -0.462829D+00 -0.429447D+00  0.396917D+01  0.894559D+00
      3  -0.508589D+01 -0.182721D+01 -0.577140D+01  0.693219D-01 -0.377813D+01
                86            87            88            89            90 
      1  -0.371101D-01 -0.278073D+01  0.126275D+01  0.145047D+01 -0.192878D+00
      2   0.884654D+00  0.343082D+01 -0.161904D+01 -0.102430D+01  0.224219D+00
      3  -0.897768D+01 -0.723969D+00 -0.103799D+01 -0.160754D+01  0.124483D+00
                91            92            93            94            95 
      1  -0.162598D+00 -0.606699D+00  0.126098D+01 -0.102717D-01  0.176094D+00
      2  -0.182051D+01  0.293883D+00  0.647047D+01  0.156756D+01 -0.722842D+00
      3   0.199291D+01 -0.577639D+01 -0.223156D+00 -0.381819D+01  0.291438D+01
                96            97            98            99           100 
      1  -0.727516D+00 -0.873925D+00  0.648967D+00 -0.123559D+00  0.288755D+00
      2  -0.186333D+01 -0.239228D+01  0.526180D+00 -0.669299D+00  0.698106D+00
      3   0.678793D+00 -0.179854D+01  0.148239D+01  0.883113D-01 -0.394060D+01
               101           102           103           104           105 
      1   0.550177D-02  0.109069D+01 -0.285921D+00  0.895460D+00 -0.494494D+01
      2  -0.892233D+00 -0.878973D-01 -0.132548D+01  0.241894D+01  0.779315D+00
      3   0.379160D+01  0.965102D+00  0.655467D+01 -0.126423D+02 -0.287596D+01
               106           107           108           109           110 
      1  -0.253151D+00  0.225851D+01 -0.752583D+00 -0.167663D+00  0.122703D+00
      2  -0.138113D+01  0.659756D+00  0.268248D-01 -0.375896D+00  0.460119D+00
      3   0.146133D+01 -0.325563D+01 -0.470471D+00  0.861214D+00 -0.133698D+01
               111           112           113           114           115 
      1   0.120869D+01  0.123811D+00  0.674769D+00 -0.488486D+01 -0.336321D+00
      2   0.108130D+01  0.101164D+00 -0.313239D+01 -0.301393D+01 -0.896026D+00
      3  -0.369427D+00  0.951081D+00  0.146580D+02  0.290139D+01 -0.137788D+00
               116           117           118           119           120 
      1   0.203561D+01 -0.727376D+00 -0.748153D+00 -0.610310D+00  0.149155D+01
      2  -0.124790D+00 -0.468615D+00 -0.986762D+00  0.379932D+00  0.287415D+01
      3   0.324839D+01  0.290903D+00  0.137053D+01 -0.330502D+01  0.147756D+00
               121           122           123           124           125 
      1   0.221884D+00  0.578529D+00 -0.285026D+01  0.206199D+01  0.116536D+01
      2  -0.384337D+00 -0.243786D+01 -0.512229D+01  0.101870D+01 -0.393289D+01
      3   0.105062D+01  0.338785D+01  0.362362D+01  0.118897D+01  0.492506D+01
               126           127           128           129           130 
      1  -0.370233D+01  0.304449D+01  0.206057D+01  0.282225D+01 -0.132397D+01
      2  -0.803433D+01  0.115961D+02 -0.646671D+01  0.779129D+01 -0.617837D+01
      3   0.374129D+01  0.902334D+01 -0.134911D+02  0.146278D+01 -0.573106D+01
               131           132           133           134           135 
      1   0.388137D+01 -0.111603D+02  0.239702D+01 -0.624664D+01 -0.701280D+01
      2  -0.597049D+01 -0.715786D+01  0.506724D+01 -0.757267D+01 -0.676997D+01
      3  -0.173398D+02  0.712747D+01 -0.155121D+00  0.715921D+01  0.478468D+01
               136           137           138           139           140 
      1   0.295762D-02  0.760265D+00  0.226986D-01  0.828784D+00  0.407347D-01
      2  -0.419300D+00 -0.105360D+00  0.904004D+00 -0.328724D+00 -0.253329D+01
      3  -0.741365D+00  0.699153D+00 -0.190069D+00  0.289045D+01 -0.119551D+01
               141           142           143           144           145 
      1  -0.142896D+01 -0.138234D+01  0.232890D+01  0.655825D+01 -0.232182D+01
      2   0.338788D+01  0.746993D+00  0.455694D+01 -0.183015D+02  0.900522D+01
      3   0.232152D+01 -0.107869D+01  0.529050D+01 -0.262098D+01  0.655404D+01
               146           147           148           149           150 
      1  -0.856213D+00 -0.165547D+01 -0.763273D+00 -0.460887D+00 -0.133223D+01
      2   0.116185D+01  0.666311D+01  0.941563D+00  0.153877D+01  0.114225D+01
      3  -0.587048D+01  0.116437D+01 -0.414545D+00  0.338918D+00 -0.128906D+01
               151           152           153           154           155 
      1  -0.163581D+01  0.837064D-02 -0.810602D+00  0.415948D+00 -0.895749D+00
      2   0.416519D+01  0.147058D+01  0.172079D+01  0.206456D+00  0.589784D+00
      3   0.240432D+01 -0.294172D+01  0.193526D+00 -0.153572D+01  0.502554D-02
               156           157           158           159           160 
      1  -0.951012D-02  0.186057D+01  0.615381D+01 -0.604185D+01 -0.200383D+01
      2   0.111497D+01 -0.496660D+00 -0.216106D+01  0.132852D+01  0.118916D+00
      3  -0.129848D+01  0.500159D+01 -0.869432D+01  0.223679D+01 -0.234063D+01
               161           162           163           164           165 
      1  -0.411587D+01  0.235506D+01 -0.312771D+01 -0.105542D+01 -0.356627D+01
      2   0.144027D+01 -0.880024D+00 -0.621600D+00  0.683575D+00  0.253236D+01
      3   0.493832D+01 -0.867799D+00  0.593648D+01 -0.125668D+00  0.211571D+01
               166           167           168           169           170 
      1  -0.125205D+01 -0.160357D+01 -0.316813D+01 -0.659273D+01 -0.493266D+01
      2   0.657118D+00  0.100697D+01  0.139457D+01  0.683278D+00  0.284560D+01
      3  -0.300703D+00 -0.244345D+00  0.831281D-01  0.691559D+01  0.155718D+01
               171           172           173           174           175 
      1  -0.152896D+02  0.120046D+01 -0.155041D+01 -0.135043D+01 -0.637093D+00
      2   0.635231D+01  0.154558D+01 -0.249503D+00 -0.218595D+01 -0.111908D+01
      3   0.220008D+01 -0.809481D+00  0.895740D+00 -0.615691D+00  0.106896D+01
               176           177           178           179           180 
      1   0.512031D+01  0.460865D+01 -0.911278D-01  0.684506D+01  0.104690D+02
      2   0.342263D+01  0.667966D+01 -0.320166D+01  0.354970D+01  0.140854D+02
      3  -0.282613D+01 -0.327584D+01 -0.744308D+00 -0.448398D+01 -0.359533D+01
               181           182           183           184           185 
      1   0.103705D+00  0.116568D+01  0.260313D+01  0.724903D+00 -0.492066D+00
      2  -0.778353D+01  0.894978D+00  0.646392D+01  0.129872D+01  0.281166D-01
      3  -0.132669D+02 -0.378992D+01 -0.145513D+00  0.377826D+00  0.176916D+01
               186           187           188           189           190 
      1  -0.295260D+00  0.107901D+01  0.107318D+01  0.209609D+00 -0.130139D+01
      2   0.125924D+00  0.106061D+01  0.409059D+00 -0.443779D+00  0.134333D+01
      3  -0.522285D+00  0.522998D+00 -0.104819D+00 -0.178132D+01  0.535173D+01
               191           192           193           194           195 
      1  -0.138585D+01 -0.197606D+01 -0.125249D+01 -0.482835D+01 -0.306208D+01
      2   0.260991D+01 -0.151379D+01  0.223189D+01  0.609762D+01 -0.310543D+01
      3   0.677019D+01 -0.144330D+01  0.733613D+01  0.199861D+02 -0.496482D+01
               196           197           198 
      1  -0.437733D+00  0.116255D+01  0.116982D+01
      2  -0.146853D+01 -0.202950D+01  0.243111D+01
      3   0.953078D-01 -0.359599D+01  0.294290D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.345248D+01 -0.216317D+02 -0.333986D+01  0.278273D+02  0.841242D+00
      2  -0.133942D+01  0.149046D+02 -0.158034D+01 -0.278261D+02 -0.443862D+01
      3   0.479190D+01  0.672714D+01  0.492020D+01 -0.120829D-02  0.359737D+01
      4  -0.194978D+02  0.107577D+02  0.509755D+01  0.189634D+01 -0.152384D+02
      5   0.150762D+01  0.327371D+01  0.100796D+02 -0.658450D+01 -0.847186D+01
      6   0.267480D+01  0.260804D+01  0.896136D+01 -0.828657D+01 -0.455305D+01
                 6             7             8             9            10 
      1  -0.545855D+00  0.111167D+02  0.367160D+01  0.636388D+01 -0.108615D+02
      2   0.249025D+01 -0.122074D+02 -0.616909D+01 -0.108755D+02  0.634360D+01
      3  -0.194439D+01  0.109073D+01  0.249749D+01  0.451162D+01  0.451794D+01
      4  -0.105752D+02 -0.174375D+01 -0.102018D+02  0.132849D+02  0.652232D+01
      5   0.126816D+02  0.267138D+02  0.154239D+02  0.762156D+01  0.725343D+01
      6   0.270018D+01  0.837470D+01  0.118529D+02 -0.258924D+01  0.140646D+00
                11            12            13            14            15 
      1   0.637497D+01  0.763560D+01 -0.209979D+02 -0.187486D+02 -0.670495D+01
      2  -0.349442D+01 -0.259046D+01  0.186394D+02  0.185006D+02  0.869159D+01
      3  -0.288054D+01 -0.504514D+01  0.235843D+01  0.247992D+00 -0.198665D+01
      4   0.230177D+02 -0.400591D+00 -0.205868D+02  0.125879D+02  0.797180D+01
      5  -0.669304D+00  0.164703D+02 -0.119160D+02  0.527667D+01 -0.494139D+01
      6   0.127254D+00 -0.414924D+01  0.661408D+01  0.429534D+01 -0.392254D+01
                16            17            18            19            20 
      1   0.472219D+01 -0.894489D+01  0.128389D+02  0.107343D+02  0.548615D+01
      2   0.195876D+01  0.633576D+01 -0.179610D+02 -0.801336D+01 -0.686885D+01
      3  -0.668096D+01  0.260913D+01  0.512215D+01 -0.272094D+01  0.138270D+01
      4  -0.135310D+02  0.384362D+01 -0.396676D+01  0.852496D+01 -0.214277D+02
      5   0.346072D+02 -0.585430D+01 -0.921410D+01 -0.173421D+01 -0.178067D+01
      6  -0.196608D+01  0.676304D+01 -0.332900D+01 -0.132958D+01  0.201041D+01
                21            22            23            24            25 
      1  -0.201117D+01  0.584193D+01  0.107887D+02  0.576870D+01 -0.157316D+01
      2   0.205388D+01  0.450631D+00 -0.161701D+02 -0.867053D+01  0.159728D+01
      3  -0.427128D-01 -0.629256D+01  0.538138D+01  0.290183D+01 -0.241222D-01
      4  -0.390237D+01  0.168082D+02  0.105879D+02  0.258797D+00  0.124685D+01
      5  -0.548266D+01  0.764647D+00  0.734913D+00  0.328403D+01  0.223637D+01
      6  -0.582446D+01  0.301616D+01 -0.127058D+02  0.446901D+01  0.350599D-01
                26            27            28            29            30 
      1   0.439620D+01 -0.146956D+02 -0.214001D+02  0.859601D+01  0.278936D+01
      2  -0.109105D+02  0.509933D+00  0.128327D+02 -0.452705D+01  0.180131D+00
      3   0.651432D+01  0.141857D+02  0.856738D+01 -0.406895D+01 -0.296949D+01
      4   0.320517D+01  0.947004D+01 -0.116358D+02  0.938899D+01  0.715769D+00
      5   0.849935D+01  0.755668D+01  0.392400D+01 -0.128489D+01 -0.220259D+01
      6   0.141046D+02  0.544929D+01 -0.296624D+01 -0.227477D+00 -0.226199D+01
                31            32            33            34            35 
      1  -0.168597D+01 -0.291630D+01 -0.328235D+00  0.777544D+01 -0.144270D+01
      2   0.673859D+01  0.901907D+01  0.192617D+01 -0.442420D+00 -0.156280D+00
      3  -0.505262D+01 -0.610277D+01 -0.159794D+01 -0.733302D+01  0.159898D+01
      4  -0.361051D+01  0.892690D+01  0.899721D+00 -0.442354D+01  0.108488D+01
      5  -0.258301D+01 -0.574581D+00 -0.266789D+00  0.419431D+01 -0.885536D+00
      6   0.506337D+01  0.250752D+01  0.202958D+01 -0.176236D+01  0.651617D+01
                36            37            38            39            40 
      1  -0.891701D+01 -0.164991D+02 -0.242607D+02 -0.473654D+01 -0.825888D+01
      2  -0.300461D+01  0.124112D+02  0.168939D+02  0.276318D+01 -0.756727D+00
      3   0.119216D+02  0.408798D+01  0.736682D+01  0.197337D+01  0.901561D+01
      4  -0.338467D+01 -0.442065D+01 -0.377976D+01  0.204858D+01  0.475759D+01
      5   0.775604D+00 -0.901323D+00  0.225403D+01 -0.180402D+01  0.447265D+01
      6  -0.424931D+00  0.610127D+01  0.370908D+01  0.253189D+01 -0.590111D+01
                41            42            43            44            45 
      1  -0.896461D+01  0.329210D+01 -0.474684D+00  0.594606D+01 -0.108731D+02
      2   0.966426D+01  0.397836D+00 -0.113664D+01 -0.459610D+01  0.104381D+01
      3  -0.699650D+00 -0.368994D+01  0.161132D+01 -0.134997D+01  0.982925D+01
      4  -0.678965D+01 -0.204710D+01  0.179284D+01 -0.134649D+00 -0.150102D+01
      5  -0.161115D+01 -0.246619D+01  0.448422D+01 -0.289038D+01  0.273119D+00
      6  -0.244341D+00  0.220413D+01  0.106762D+01  0.894283D+01 -0.138167D+01
                46            47            48            49            50 
      1   0.157745D+02  0.154273D+02 -0.151971D+01 -0.181402D+02  0.141373D+02
      2  -0.134443D+02 -0.104962D+02 -0.994800D+00  0.157000D+02 -0.204134D+02
      3  -0.233012D+01 -0.493106D+01  0.251451D+01  0.244017D+01  0.627608D+01
      4   0.615414D+01 -0.158023D+02 -0.536507D+01  0.123034D+02 -0.184391D+01
      5   0.320115D+01 -0.443590D+01 -0.447270D+01  0.102355D+01  0.466599D+01
      6  -0.631997D+01  0.175468D+01  0.820540D+00  0.376148D+01 -0.115362D+02
                51            52            53            54            55 
      1   0.389194D+01 -0.601572D+01 -0.907680D+00 -0.736309D+01  0.206817D+02
      2  -0.739725D+01  0.783031D+01 -0.726000D+01 -0.421120D+01 -0.100687D+02
      3   0.350531D+01 -0.181459D+01  0.816768D+01  0.115743D+02 -0.106130D+02
      4   0.483446D+01 -0.270314D+01  0.101697D+02 -0.135540D+02  0.108344D+02
      5  -0.958715D+01  0.865787D+01 -0.129270D+02 -0.695080D+01 -0.108633D+01
      6   0.536365D+01 -0.462028D+01  0.128137D+02  0.266837D+01  0.266384D+01
                56            57            58            59            60 
      1  -0.525695D+01  0.342922D+01 -0.444554D+01 -0.492507D+01  0.387324D+01
      2   0.287690D+01 -0.186473D+01 -0.460427D+00  0.440374D+01 -0.413764D+01
      3   0.238005D+01 -0.156448D+01  0.490597D+01  0.521330D+00  0.264397D+00
      4  -0.107220D+02  0.203236D+01 -0.224985D+02 -0.515038D+01  0.613388D+01
      5   0.264527D+01 -0.926751D+01  0.461228D+01  0.743615D+01  0.144242D+02
      6  -0.137712D+01  0.750394D+01  0.305491D+01 -0.477080D+01 -0.126007D+02
                61            62            63            64            65 
      1  -0.564518D+01  0.611325D+01  0.228275D+01 -0.347631D+02 -0.121360D+02
      2  -0.536718D+00  0.831113D+00 -0.168414D+01  0.116460D+02  0.897897D+01
      3   0.618190D+01 -0.694436D+01 -0.598610D+00  0.231171D+02  0.315707D+01
      4   0.102753D+02 -0.534213D+00  0.220146D+02 -0.156473D+02  0.449696D+00
      5  -0.220861D+02  0.199271D+02  0.665488D+01 -0.102857D+02  0.212356D-01
      6   0.173919D+02 -0.151584D+02 -0.954024D+01 -0.345894D+01  0.400773D+00
                66            67            68            69            70 
      1  -0.108536D+02 -0.100092D+02  0.587992D+01  0.359903D-02 -0.205695D+02
      2   0.655744D+01  0.891925D+01  0.141643D+01 -0.605101D+01  0.836493D+01
      3   0.429619D+01  0.108998D+01 -0.729634D+01  0.604741D+01  0.122046D+02
      4  -0.287283D+01  0.388235D+01  0.125002D+02 -0.369946D+01 -0.688223D+01
      5   0.256370D+01  0.209702D+01 -0.600832D+01 -0.622272D+01 -0.112845D+01
      6   0.951111D-01 -0.216904D+01 -0.192723D+01 -0.323722D+01 -0.345436D+01
                71            72            73            74            75 
      1  -0.227753D+01  0.616663D+01  0.487879D+01  0.104273D+02  0.752955D+01
      2  -0.870436D+01  0.121975D+02  0.252878D+01 -0.395130D+01 -0.650049D+01
      3   0.109819D+02 -0.183641D+02 -0.740758D+01 -0.647597D+01 -0.102906D+01
      4   0.168952D+01 -0.111496D+02  0.267355D+01  0.115548D+01 -0.256772D+01
      5  -0.100860D+02  0.241771D+02 -0.101461D+00 -0.414674D+01 -0.594473D+01
      6  -0.873610D+00  0.168979D+02 -0.384231D+01 -0.794402D+01 -0.681309D+01
                76            77            78            79            80 
      1   0.204541D+02  0.263298D+02 -0.728728D+01  0.137156D+02 -0.652516D+01
      2  -0.177237D+02 -0.389169D+02  0.130137D+02 -0.601770D+01  0.191764D+02
      3  -0.273038D+01  0.125871D+02 -0.572644D+01 -0.769793D+01 -0.126513D+02
      4  -0.285022D+01 -0.102463D+02  0.151074D+01 -0.599445D+01 -0.168861D+01
      5  -0.658705D+01  0.217330D+01 -0.177075D+01 -0.108455D+02 -0.913121D+01
      6  -0.271916D+01  0.119762D+02 -0.555607D+01 -0.155297D+02 -0.174334D+02
                81            82            83            84            85 
      1   0.119827D+02  0.392912D+02  0.200189D+02  0.221672D+01  0.166181D+02
      2  -0.732033D+01 -0.133233D+02 -0.310409D+01 -0.102934D+01  0.119642D+01
      3  -0.466233D+01 -0.259679D+02 -0.169149D+02 -0.118738D+01 -0.178145D+02
      4  -0.103583D+02  0.421093D+02  0.322951D+02  0.228408D+01  0.364849D+02
      5  -0.144903D+02  0.495811D+01  0.255157D+01  0.742463D+01  0.543549D+01
      6  -0.189649D+02  0.537984D+00  0.476122D+00  0.340848D+01  0.240631D+01
                86            87            88            89            90 
      1   0.103160D+02  0.152931D+01  0.543536D-01  0.237431D+00  0.515762D+00
      2   0.789270D+01 -0.586482D+00  0.134398D+01  0.139862D+01  0.339779D+00
      3  -0.182087D+02 -0.942829D+00 -0.139834D+01 -0.163605D+01 -0.855542D+00
      4   0.378547D+02  0.423799D+01  0.406308D+01  0.458213D+01  0.232551D+01
      5   0.497068D+01  0.556682D+01  0.197040D+01  0.115250D+01  0.691500D+00
      6   0.232129D+01  0.482681D+01  0.112398D+01  0.155340D+01  0.119401D+01
                91            92            93            94            95 
      1   0.914931D+02 -0.159711D+02 -0.944190D+01 -0.149652D+02  0.107798D+02
      2  -0.517548D+02  0.793223D+01  0.662136D+01  0.670586D+01 -0.439814D+01
      3  -0.397383D+02  0.803891D+01  0.282054D+01  0.825937D+01 -0.638169D+01
      4  -0.257134D+02  0.136175D+02  0.272304D+01  0.193281D+02 -0.931220D+01
      5  -0.146915D+02  0.260135D+01  0.118273D+02  0.537141D+01 -0.286923D+01
      6  -0.208918D-01 -0.707268D+00 -0.141154D+01 -0.162980D+01  0.650009D+00
                96            97            98            99           100 
      1   0.285894D+01 -0.114734D+02  0.354863D+01  0.319504D+01 -0.383671D+01
      2  -0.214949D+01  0.637673D+01 -0.194836D+01 -0.202799D+01  0.539264D+01
      3  -0.709452D+00  0.509670D+01 -0.160027D+01 -0.116704D+01 -0.155593D+01
      4  -0.270570D+01  0.605717D+01 -0.311282D+01 -0.179545D+01 -0.337493D+00
      5  -0.307526D+01  0.389348D+01 -0.838024D+00 -0.241758D+01  0.666327D-01
      6   0.222654D+01 -0.560781D+00  0.102639D+01  0.796601D+00  0.204483D+01
               101           102           103           104           105 
      1   0.726519D+01  0.251251D+01  0.408766D+01 -0.389976D+02 -0.922498D+01
      2  -0.755423D+01 -0.169956D+01 -0.396067D+01  0.530861D+02  0.899340D+01
      3   0.289038D+00 -0.812951D+00 -0.126987D+00 -0.140884D+02  0.231577D+00
      4   0.715396D+01  0.119302D+01  0.614509D+01  0.113221D+02  0.292132D+01
      5   0.951324D+00  0.146680D+01  0.106841D+01  0.370616D+01  0.199206D+01
      6  -0.313850D+01 -0.182982D+01 -0.843261D+00  0.160146D+02  0.108266D+02
               106           107           108           109           110 
      1   0.115175D+01 -0.899613D+01 -0.390021D+01  0.213481D+01 -0.246802D+01
      2  -0.108335D+01  0.109475D+02  0.401882D+01  0.314769D+01 -0.344846D+01
      3  -0.684068D-01 -0.195141D+01 -0.118614D+00 -0.528249D+01  0.591647D+01
      4   0.138561D+01  0.188591D+01 -0.633524D+00 -0.122549D+02  0.164755D+02
      5   0.871445D+00  0.406754D+00 -0.168143D+00 -0.278161D+01  0.350204D+01
      6  -0.303638D+00  0.626742D+01  0.397647D+01  0.244179D+01 -0.282863D+01
               111           112           113           114           115 
      1  -0.336490D+00  0.189554D+01 -0.238067D+02 -0.514281D+01  0.433141D-01
      2  -0.228455D+00 -0.929506D+01  0.425862D+02  0.594839D+01 -0.162076D+01
      3   0.564945D+00  0.739952D+01 -0.187795D+02 -0.805580D+00  0.157745D+01
      4   0.369374D+01  0.190966D+02 -0.417241D+02 -0.843215D+01  0.487307D+01
      5   0.354584D+01  0.381419D+01 -0.756695D+01 -0.562260D+01  0.173358D+01
      6  -0.220641D+01 -0.413946D+01  0.132891D+02  0.994943D+01 -0.174314D+01
               116           117           118           119           120 
      1  -0.419984D+01 -0.286378D+01  0.454052D+01 -0.187786D+01 -0.315318D+01
      2   0.720575D+01  0.342719D+01 -0.374619D+01  0.101959D+01  0.264416D+01
      3  -0.300592D+01 -0.563413D+00 -0.794325D+00  0.858274D+00  0.509020D+00
      4  -0.988331D+01 -0.274276D+01 -0.798823D+01  0.937862D+01  0.439390D+01
      5  -0.243720D+01 -0.174183D+01 -0.804221D+01  0.390408D+01  0.112690D+02
      6   0.551726D+01  0.380674D+01  0.533554D+01 -0.259605D+01 -0.418673D+01
               121           122           123           124           125 
      1   0.476257D+00 -0.610130D+01 -0.560979D+01 -0.980841D+00 -0.571199D+01
      2  -0.771654D+00  0.622579D+01  0.303048D+01  0.384772D+01  0.741132D+00
      3   0.295397D+00 -0.124497D+00  0.257931D+01 -0.286688D+01  0.497086D+01
      4   0.138325D+02 -0.140400D+02 -0.911491D+01  0.795263D+01 -0.104346D+02
      5   0.595034D+01 -0.918790D+01 -0.122918D+02  0.159755D+02 -0.120424D+02
      6  -0.566686D+01  0.126647D+02  0.146743D+02 -0.927187D+01  0.143370D+02
               126           127           128           129           130 
      1  -0.975100D+01 -0.530439D+02  0.218835D+02 -0.473494D+01  0.127855D+02
      2  -0.584893D+01  0.205238D+02 -0.186267D+02  0.808379D+00 -0.101616D+02
      3   0.155999D+02  0.325201D+02 -0.325679D+01  0.392656D+01 -0.262394D+01
      4  -0.123458D+02  0.278187D+02  0.616302D+01 -0.433102D+01  0.122147D+02
      5  -0.224064D+02 -0.635214D+01 -0.139193D+01  0.103123D+02 -0.449271D+01
      6   0.193248D+02 -0.203017D+01  0.757833D+01 -0.542475D+01  0.616579D+01
               131           132           133           134           135 
      1   0.227835D+02 -0.758820D+00  0.308716D+01 -0.207756D+01  0.721326D+01
      2  -0.243217D+02  0.154142D+02 -0.308461D+01  0.118654D+02  0.809496D+01
      3   0.153821D+01 -0.146553D+02 -0.254822D-02 -0.978783D+01 -0.153082D+02
      4   0.534852D+01 -0.488364D+01 -0.142576D+02  0.523917D+00 -0.212906D+02
      5  -0.783045D+00 -0.141745D+02  0.173556D+02 -0.179073D+02 -0.440173D+01
      6   0.909879D+01  0.483566D+01 -0.119518D+02  0.746609D+01 -0.376537D+01
               136           137           138           139           140 
      1   0.489980D+01  0.349333D+01 -0.395023D+01  0.164143D+01 -0.499960D+01
      2  -0.471835D+01 -0.231422D+01  0.229429D+01 -0.136403D+01  0.134983D+01
      3  -0.181453D+00 -0.117911D+01  0.165594D+01 -0.277398D+00  0.364977D+01
      4   0.397831D+01  0.143019D+01 -0.290249D+01  0.455980D+01  0.377870D+01
      5  -0.496148D+01 -0.246701D+01  0.649440D+01 -0.336391D+01 -0.515858D+01
      6  -0.261140D+01 -0.423775D+00 -0.149835D+00 -0.226793D+01 -0.625518D+01
               141           142           143           144           145 
      1   0.348438D+01 -0.409333D+01  0.451429D+01 -0.133715D+02  0.659202D+02
      2  -0.160661D+00  0.842501D+01  0.178356D+01 -0.198313D+02 -0.319456D+02
      3  -0.332372D+01 -0.433168D+01 -0.629785D+01  0.332028D+02 -0.339746D+02
      4  -0.605218D+01 -0.639209D+01 -0.973275D+01  0.120855D+02  0.256921D+02
      5   0.661760D+01  0.160992D+02  0.109267D+02 -0.374304D+02  0.164260D+01
      6   0.108824D+02  0.628884D+01  0.106963D+02 -0.219674D+02  0.749647D+00
               146           147           148           149           150 
      1   0.965224D+01  0.575431D+01  0.530045D+01  0.545613D+01  0.119707D+00
      2  -0.269898D+01 -0.181684D+01 -0.111040D+00 -0.250954D+00  0.126131D+01
      3  -0.695326D+01 -0.393747D+01 -0.518941D+01 -0.520518D+01 -0.138102D+01
      4   0.150694D+02  0.119696D+01  0.124082D+02  0.519948D+01  0.182248D+01
      5  -0.587894D+00  0.968984D+01 -0.246725D+00  0.151360D+01  0.162049D+01
      6  -0.316416D+00  0.266006D+01 -0.344364D+00  0.811167D+00  0.216888D+01
               151           152           153           154           155 
      1   0.158423D+02  0.222675D+01  0.547325D+01 -0.304488D+00  0.512458D+01
      2  -0.767544D+01  0.113021D+01 -0.504017D+01  0.311553D+01 -0.589652D+01
      3  -0.816690D+01 -0.335696D+01 -0.433080D+00 -0.281104D+01  0.771941D+00
      4   0.706408D+01  0.489837D+01  0.420133D+01  0.129490D+01  0.802311D+01
      5   0.100441D+02  0.292013D+01  0.237629D+01 -0.476078D+00 -0.655469D+00
      6   0.272151D+01  0.193979D+01 -0.232558D+00 -0.251128D+01  0.118217D+01
               156           157           158           159           160 
      1  -0.204490D+01 -0.432660D+01 -0.398644D+02  0.710402D+01 -0.125267D+01
      2   0.143475D+01  0.799811D+01  0.646805D+02 -0.111226D+02 -0.141170D+01
      3   0.610156D+00 -0.367151D+01 -0.248161D+02  0.401861D+01  0.266437D+01
      4  -0.166863D+01  0.104013D+02  0.181870D+02 -0.288428D+01 -0.374654D+01
      5   0.288561D+01 -0.135037D+01 -0.255184D+01  0.286565D+01  0.378266D+01
      6   0.702099D-01 -0.229497D+01 -0.151767D+02  0.105989D+02  0.452082D+01
               161           162           163           164           165 
      1   0.133512D+02 -0.847821D+01  0.203627D+01 -0.112323D+01 -0.662407D-01
      2  -0.203031D+02  0.871277D+01 -0.353935D+01  0.137000D+01  0.129922D+00
      3   0.695196D+01 -0.234560D+00  0.150307D+01 -0.246773D+00 -0.636816D-01
      4  -0.592115D+01  0.403336D+01  0.717595D+01  0.696807D+01  0.608997D+01
      5   0.403904D+01 -0.360828D+00  0.692947D+01  0.474139D+01  0.100360D+02
      6   0.152436D+02 -0.631598D+01  0.648410D+01  0.439059D+01  0.678823D+01
               166           167           168           169           170 
      1  -0.436813D+01 -0.111583D+02 -0.479448D+01 -0.410029D+01 -0.116120D+02
      2   0.575974D+01  0.130789D+02  0.384090D+01  0.334891D-01  0.727659D+01
      3  -0.139161D+01 -0.192066D+01  0.953584D+00  0.406680D+01  0.433540D+01
      4   0.517148D+01  0.781104D+01  0.479633D+01  0.121988D+02  0.107646D+02
      5   0.261599D+01  0.480199D+01  0.408957D+01  0.135817D+02  0.115964D+02
      6   0.415095D+01  0.746133D+01  0.928849D+01  0.133295D+02  0.200828D+02
               171           172           173           174           175 
      1  -0.174592D+02  0.374474D+01 -0.123258D+01  0.525116D+01  0.327638D+01
      2   0.126537D+01 -0.360176D+01  0.188277D+01 -0.557318D-01 -0.246898D+01
      3   0.161939D+02 -0.142987D+00 -0.650184D+00 -0.519543D+01 -0.807402D+00
      4   0.111920D+02 -0.697508D+00 -0.147398D+01 -0.576995D+00 -0.173802D+01
      5   0.203449D+02  0.208660D+01  0.109639D+01  0.158834D+00  0.473550D+01
      6   0.297035D+02  0.388498D+00 -0.168347D+01  0.198838D+01 -0.699296D+00
               176           177           178           179           180 
      1  -0.465192D+01 -0.310929D+01  0.544162D+01 -0.131542D+01 -0.131800D+02
      2   0.532241D-01 -0.905553D+01 -0.366297D+01 -0.713911D+01 -0.175894D+02
      3   0.459869D+01  0.121648D+02 -0.177865D+01  0.845453D+01  0.307694D+02
      4   0.596362D+01  0.526857D+01 -0.221452D+01  0.781075D+01  0.713121D+01
      5   0.362427D+01  0.118229D+02  0.712687D+01  0.443758D+01  0.232955D+02
      6   0.198389D+01  0.468458D+00 -0.535681D+00  0.402060D+01 -0.554835D+01
               181           182           183           184           185 
      1   0.765187D+02 -0.132952D+02  0.187234D+01 -0.514532D+01  0.364272D+01
      2  -0.349652D+02  0.225282D+01 -0.330540D+01 -0.650203D+00  0.206976D+01
      3  -0.415535D+02  0.110424D+02  0.143306D+01  0.579552D+01 -0.571248D+01
      4  -0.420135D+02  0.204010D+02 -0.300982D+01  0.139264D+02 -0.909936D+01
      5   0.184884D+02 -0.470293D+01  0.123483D+02 -0.114533D+01  0.159717D+01
      6  -0.337249D+01  0.315565D+01 -0.511232D+01  0.112861D+01 -0.197065D+01
               186           187           188           189           190 
      1   0.160740D+00 -0.603866D+01  0.847765D+00  0.486877D+01 -0.974810D-01
      2  -0.114626D+01  0.104349D+01 -0.112337D+00 -0.447047D+01  0.332361D+01
      3   0.985516D+00  0.499516D+01 -0.735428D+00 -0.398306D+00 -0.322612D+01
      4   0.966170D+00  0.424117D+01 -0.227179D+01 -0.165329D+01 -0.851988D+00
      5  -0.141962D+00  0.852231D+01 -0.633053D+00  0.567763D+00 -0.942823D+00
      6   0.152878D+01 -0.306061D+01  0.132198D+01  0.376721D+00 -0.109966D+01
               191           192           193           194           195 
      1  -0.122028D+02  0.413284D+01 -0.900832D+01 -0.300686D+02  0.795025D+01
      2   0.137227D+02 -0.228874D+01  0.573536D+01  0.433783D+02 -0.759162D+01
      3  -0.151991D+01 -0.184410D+01  0.327296D+01 -0.133098D+02 -0.358625D+00
      4  -0.216748D+01  0.133290D+01  0.685960D+01 -0.249037D+02  0.647345D+01
      5  -0.215296D+00 -0.213214D+01 -0.369182D+01  0.428259D+01 -0.440387D+01
      6  -0.615037D+01  0.454199D+01 -0.698741D+00 -0.187296D+02  0.115407D+02
               196           197           198 
      1   0.799613D+00  0.568821D+01 -0.689217D+01
      2  -0.409395D+00 -0.486241D+01  0.341091D+01
      3  -0.390217D+00 -0.825794D+00  0.348126D+01
      4   0.738376D+00  0.345718D+01 -0.136264D+01
      5   0.100165D+01 -0.197705D+01  0.294829D+01
      6   0.162625D+01  0.937129D+01 -0.493044D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.228258D+00      0.580174D+00      0.193525D+01
   y          0.459183D-01      0.116713D+00      0.389312D+00
   z         -0.127765D-01     -0.324747D-01     -0.108324D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.137577D+03      0.203868D+02      0.226833D+02
   yx         0.142876D+01      0.211720D+00      0.235570D+00
   yy         0.117520D+03      0.174147D+02      0.193764D+02
   zx        -0.229571D+01     -0.340189D+00     -0.378512D+00
   zy         0.520228D+01      0.770898D+00      0.857740D+00
   zz         0.775956D+02      0.114985D+02      0.127938D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120143D+03      0.178034D+02      0.198090D+02
   aniso      0.567447D+02      0.840869D+01      0.935593D+01
   xx         0.148792D+03      0.220487D+02      0.245325D+02
   yx         0.171995D+01      0.254870D+00      0.283582D+00
   yy         0.126372D+03      0.187264D+02      0.208359D+02
   zx        -0.229890D+01     -0.340662D+00     -0.379037D+00
   zy         0.520435D+01      0.771205D+00      0.858081D+00
   zz         0.852660D+02      0.126351D+02      0.140585D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.69428482         -0.93176003         -4.61669748
     6         -0.38397713          1.46501030         -4.73108323
     6          1.20186395         -2.05098395         -2.28967646
     6          0.63306044         -0.74419689         -0.08913120
     6         -0.44627950          1.65877247         -0.20412285
     6         -0.96412160          2.77134603         -2.52130509
     6          0.94046084         -1.59816551          2.62169109
     6          0.70705085          0.91829068          4.10019644
     6         -0.91515494          2.66912889          2.42024556
     1          1.14767162         -1.92552912         -6.34643646
     1         -0.76370092          2.32188632         -6.54954512
     1          2.04372014         -3.91608937         -2.20669257
     1         -1.79666858          4.63957027         -2.61871280
     1          2.79417138         -2.45652136          2.92630418
     6         -1.09305642         -3.52456920          3.36336559
     1          2.58142434          1.74927020          4.32925302
     1         -0.08796024          0.64985813          5.98238464
     1         -0.40266212          4.65629631          2.62052585
     1         -2.92297333          2.52044927          2.89735470
     1         -2.98113451         -2.72227648          3.13378915
     1         -0.87388623         -4.10473850          5.33168010
     1         -0.98278719         -5.20940403          2.17920099

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.233181D+00      0.592687D+00      0.197699D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.812907D+02      0.120460D+02      0.134030D+02
   yx        -0.127382D+02     -0.188761D+01     -0.210025D+01
   yy         0.114098D+03      0.169076D+02      0.188122D+02
   zx        -0.144736D+01     -0.214477D+00     -0.238638D+00
   zy        -0.320912D+01     -0.475542D+00     -0.529112D+00
   zz         0.137304D+03      0.203463D+02      0.226383D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120143D+03      0.178034D+02      0.198090D+02
   aniso      0.567447D+02      0.840869D+01      0.935593D+01
   xx         0.890133D+02      0.131904D+02      0.146763D+02
   yx        -0.129535D+02     -0.191952D+01     -0.213575D+01
   yy         0.122887D+03      0.182100D+02      0.202614D+02
   zx        -0.159882D+01     -0.236921D+00     -0.263610D+00
   zy        -0.343172D+01     -0.508528D+00     -0.565814D+00
   zz         0.148530D+03      0.220098D+02      0.244892D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K13-23-02\Freq\RLC-PBEPBE\Gen\C10H12\PIERPA\16-Jul-2021\0
 \\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Ti
 ght) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0250
 000000,3/108=0250000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/1
 31=-1)\\ROA calculations.\\0,1\C,-2.295974,-1.028853,-0.128687\C,-2.60
 6029,0.291875,0.183416\C,-0.973478,-1.40911,-0.342457\C,0.029531,-0.45
 5263,-0.247794\C,-0.281499,0.868664,0.064239\C,-1.598106,1.247679,0.28
 3733\C,1.52367,-0.639314,-0.39664\C,2.019669,0.816964,-0.580832\C,0.97
 2315,1.705463,0.12574\H,-3.088043,-1.762337,-0.209833\H,-3.637708,0.57
 8196,0.343549\H,-0.735344,-2.437795,-0.586593\H,-1.844116,2.275439,0.5
 2314\H,1.76059,-1.24321,-1.276257\C,2.130571,-1.320158,0.83597\H,2.034
 988,1.060247,-1.645001\H,3.029412,0.962676,-0.195614\H,0.857874,2.6794
 48,-0.352616\H,1.250132,1.896413,1.167459\H,1.938821,-0.733184,1.73705
 6\H,3.211182,-1.433117,0.725825\H,1.698191,-2.310454,0.988755\\Version
 =ES64L-G16RevA.03\State=1-A\HF=-388.4836191\RMSD=4.886e-09\RMSF=5.248e
 -06\ZeroPoint=0.1921718\Thermal=0.2004692\Dipole=0.2282579,0.0459183,-
 0.0127765\DipoleDeriv=-0.0311354,0.0369779,-0.0027796,0.1002657,0.0113
 51,0.0271671,0.0049391,0.0276339,-0.1422782,0.0204205,-0.0143791,-0.02
 80038,-0.0831313,-0.0461065,0.028946,-0.037123,0.0235127,-0.141863,-0.
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 THE PROGRESS OF RIVERS TO THE SEA IS NOT AS RAPID
 AS THAT OF MAN TO ERROR.
                                              -- VOLTAIRE
 Job cpu time:       0 days 11 hours 59 minutes 46.6 seconds.
 Elapsed time:       0 days  1 hours 30 minutes 31.9 seconds.
 File lengths (MBytes):  RWF=    368 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 20:44:39 2021.
